| SpectraBase Spectrum ID |
CX8YwfmTaNO |
| Name |
(3S*,3aS*,7aR*)-3-(3-Hydroxy-4-methoxybenzyl)-1,2,3,3a,7,7a-hexahydro-4H-inden-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O3 |
| InChI |
InChI=1S/C17H20O3/c1-20-16-8-5-11(10-15(16)19)9-13-7-6-12-3-2-4-14(18)17(12)13/h2,4-5,8,10,12-13,17,19H,3,6-7,9H2,1H3/t12-,13-,17-/m0/s1 |
| InChIKey |
LJOVCLDDICBQFE-DCGLDWPTSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300283f |
| Molecular Weight |
272.344 g/mol |
| Reported Formula |
C17H20O3 |
| SMILES |
Oc1cc(C[C@@]2(CC[C@]3([C@@]2(C(C=CC3)=O)[H])[H])[H])ccc1OC |
| SPLASH |
splash10-00kr-7900000000-8cdb8a0809a1f09a1cc8 |
| Source of Spectrum |
MCS-3-SM21-19 |
| Wiley ID |
1864115 |
