Molecule FYI-1003559

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A

Molecule Summary:

ID: FYI-1003559
Names: CAMPHENE;
InChIKey: CRPUJAZIXJMDBK-UHFFFAOYSA-N
SMILES: C=C2C1CCC(C1)C2(C)C

Received at FYIcenter.com on: 2023-07-02

Molecule ID: FYI-1003559 Edit

Molecule Names: CAMPHENE;

Molecule Structure InChIKey: CRPUJAZIXJMDBK-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C2C1CCC(C1)C2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003559
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.9263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    2.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5535    3.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3568    4.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715    3.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5528    3.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1344    1.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003559-3D
FYIcenter.com

 26 27  0     1  0  0  0  0  0999 V2000
    0.4716   -1.1360    0.4226 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8814   -0.4897   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9939    1.0363    0.3963 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0208   -0.0998    1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561   -1.0449   -0.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8603    0.4636   -0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549    0.9746   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688   -0.9861   -1.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876   -0.7517    1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2100    2.0337   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640   -2.1443    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    2.0084    0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322   -0.3363    1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818    0.0741    2.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2504   -1.4544   -1.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   -1.5894   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249    0.6399   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.8893   -1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7244   -0.6548   -2.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147   -2.0805   -1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3732   -0.6076   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427   -0.3555    2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9339   -0.2880    0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -1.8273    1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466    1.9165   -0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    3.0386   -0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

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2023-09-05, 2787👍, 0💬