![(8aSR)-7-Phenyl-5,5,6-trimethyl-3,4,5,7,8,8a-hexahydrocyclopenta[b]oxepin-2-one](/api/spectrum/520JU6q3o4O/structure.png?h=300&w=458 "(8aSR)-7-Phenyl-5,5,6-trimethyl-3,4,5,7,8,8a-hexahydrocyclopenta[b]oxepin-2-one")
| SpectraBase Compound ID | 67M2Lije2F1 |
|---|---|
| InChI | InChI=1S/C18H22O2/c1-12-14(13-7-5-4-6-8-13)11-15-17(12)18(2,3)10-9-16(19)20-15/h4-8,14-15H,9-11H2,1-3H3/t14-,15?/m0/s1 |
| InChIKey | FCHNJNMTZAAJST-MLCCFXAWSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C18H22O2 |
| Exact Mass | 270.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 520JU6q3o4O |
|---|---|
| Name | (8aSR)-7-Phenyl-5,5,6-trimethyl-3,4,5,7,8,8a-hexahydrocyclopenta[b]oxepin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H22O2 |
| InChI | InChI=1S/C18H22O2/c1-12-14(13-7-5-4-6-8-13)11-15-17(12)18(2,3)10-9-16(19)20-15/h4-8,14-15H,9-11H2,1-3H3/t14-,15?/m0/s1 |
| InChIKey | FCHNJNMTZAAJST-MLCCFXAWSA-N |
| Molecular Weight | 270.372 g/mol |
| SMILES | C1(=C2C(OC(=O)CCC2(C)C)C[C@@]1(c1ccccc1)[H])C |
| SPLASH | splash10-002f-9110000000-7616a3ffdc80a3916ac7 |
| Source of Spectrum | D1-2001-1401-13 |
| Synonyms | (8aRS)-7-Phenyl-5,5,6-trimethyl-3,4,5,7,8,8a-hexahydrocyclopenta[b]oxepin-2-one (8aSR)-5,5,6-Trimethyl-7-phenyl-3,4,5,7,8,8a-hexahydrocyclopenta[b]oxepin-2-one (8aR)-5,5,6-Trimethyl-7-phenyl-3,4,5,7,8,8a-hexahydrocyclopenta[b]oxepin-2-one (R)-7-Phenyl-5,5,6-trimethyl-3,4,5,7,8,8a-hexahydrocyclopenta[b]oxepin-2-one |
| Wiley ID | 851251 |