| SpectraBase Spectrum ID |
5ZMHVP46fyD |
| Name |
(3S*,3aR*,4S*,7aS*)-3-Benzyl-7-oxooctahydro-1H-inden-4-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-12(19)21-17-10-9-16(20)15-8-7-14(18(15)17)11-13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-11H2,1H3/t14-,15+,17-,18+/m0/s1 |
| InChIKey |
WBCFYFBQPDFPCC-CIRFHOKZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300283f |
| Molecular Weight |
286.371 g/mol |
| Reported Formula |
C18H22O3 |
| SMILES |
[C@@]1(CC[C@]2([C@@]1([C@](CCC2=O)(OC(C)=O)[H])[H])[H])(Cc1ccccc1)[H] |
| SPLASH |
splash10-002e-9330000000-fec4ab4e7986f5e9423e |
| Source of Spectrum |
MCS-3-SM7-7d |
| Wiley ID |
1864121 |
