| SpectraBase Spectrum ID |
GUoqprMhMIV |
| Name |
(3S*,3aR*,7aS*)-3-(4-Hydroxybenzyl)-7-methylene-1,2,3,3a,7,7a-hexahydro-4H-inden-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18O2 |
| InChI |
InChI=1S/C17H18O2/c1-11-2-9-16(19)17-13(5-8-15(11)17)10-12-3-6-14(18)7-4-12/h2-4,6-7,9,13,15,17-18H,1,5,8,10H2/t13-,15+,17+/m0/s1 |
| InChIKey |
WJIXZWNXPXLXMO-YSVLISHTSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300283f |
| Molecular Weight |
254.329 g/mol |
| Reported Formula |
C17H18O2 |
| SMILES |
Oc1ccc(C[C@@]2(CC[C@]3([C@@]2(C(C=CC3=C)=O)[H])[H])[H])cc1 |
| SPLASH |
splash10-0a4i-4900000000-5b0f8ef2fdb33928db1b |
| Source of Spectrum |
MCS-3-SM20-11b |
| Wiley ID |
1864110 |
