Molecule FYI-1003228

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A

Molecule Summary:

ID: FYI-1003228
Names:
InChIKey: BTZVKSVLFLRBRE-UHFFFAOYSA-N
SMILES: COC(C)COC(C)=O

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003228 Edit

Molecule Structure InChIKey: BTZVKSVLFLRBRE-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(C)COC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003228
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741    2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4363    1.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577    2.1754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9772    2.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  3  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003228-3D
FYIcenter.com

 21 20  0     1  0  0  0  0  0999 V2000
   -1.8839    0.5110   -0.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583    0.1802    0.1518 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6943   -0.8369   -0.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805   -0.6690    0.0024 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0111   -0.9266   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7091   -0.4663    1.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2571    0.7943   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061    0.0927   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    1.3206    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0656   -1.5236   -0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281   -1.8452    0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1245   -1.0223   -1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736   -0.5081    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2175   -1.2535    2.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.5046    1.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8802   -0.0992   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718    1.5197   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135    1.2600    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    1.4081    1.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    2.2038   -0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608    1.2419    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1693👍, 0💬