Molecule FYI-1013131

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A

Molecule Summary:

ID: FYI-1013131
Names:
InChIKey: CSGAUKGQUCHWDP-UHFFFAOYSA-N
SMILES: CC1(C)CC(O)CC(C)(C)N1O

Received at FYIcenter.com on: 2024-11-14

Molecule ID: FYI-1013131 Edit

Molecule Structure InChIKey: CSGAUKGQUCHWDP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)CC(O)CC(C)(C)N1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013131
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    2.2077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    3.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  4 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11  1  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013131-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
    0.0009   -3.0753   -0.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.3791   -1.6011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    1.1614   -0.1558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2740    0.4551    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738    0.4557    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598   -1.0225   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2602   -1.0217   -0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -1.7705    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5891    0.5421    1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4616    1.1764   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888    0.5422    1.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    1.1779   -0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346   -1.0778   -1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453   -1.5540    0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474   -1.5505    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347   -1.0767   -1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0047   -1.9079    1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0009   -0.1433    2.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4357    1.5593    2.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6365    0.2816    1.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950    2.2378   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4076    1.1097   -1.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4199    0.7293   -0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6367    0.2834    1.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    1.5588    2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -0.1449    2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196    0.7313   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071    1.1118   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4939    2.2393   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114   -3.5248   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    2.3515   -1.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-11-23, 931👍, 0💬