| SpectraBase Spectrum ID |
GkRB2j6tg2p |
| Name |
2-(3-Isopropyl-6A,10B-dimethyl-7-methylene-dodecahydro-benzo[F]chromen-8-yl)-1-phenyl-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.287180462 u |
| Formula |
C27H38O2 |
| InChI |
InChI=1S/C27H38O2/c1-18(2)23-13-15-27(5)24-12-11-21(17-22(28)20-9-7-6-8-10-20)19(3)26(24,4)16-14-25(27)29-23/h6-10,18,21,23-25H,3,11-17H2,1-2,4-5H3 |
| InChIKey |
XLWHETTWZPIQPY-UHFFFAOYSA-N |
| Molecular Weight |
394.599 g/mol |
| SMILES |
CC(C1OC2CCC3(C(=C)C(CC(=O)C4=CC=CC=C4)CCC3C2(C)CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870065 |
![2-(3-Isopropyl-6a,10b-dimethyl-7-methylene-dodecahydro-benzo[f]chromen-8-yl)-1-phenyl-ethanone](/api/spectrum/GkRB2j6tg2p/structure.png?h=300&w=458 "2-(3-Isopropyl-6a,10b-dimethyl-7-methylene-dodecahydro-benzo[f]chromen-8-yl)-1-phenyl-ethanone")
