| SpectraBase Spectrum ID |
CJ2ZHOPL1y9 |
| Name |
(3S*,3aR*,7aS*)-3-(3-Fluoro-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 |
C17H17FO2 |
| InChI |
InChI=1S/C17H17FO2/c1-10-2-6-16(20)17-12(4-5-13(10)17)8-11-3-7-15(19)14(18)9-11/h2-3,6-7,9,12-13,17,19H,1,4-5,8H2/t12-,13+,17+/m0/s1 |
| InChIKey |
BBKLQYYMZQHOBN-OGHNNQOOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300283f |
| Molecular Weight |
272.319 g/mol |
| Reported Formula |
C17H17FO2 |
| SMILES |
Oc1c(cc(C[C@@]2(CC[C@]3([C@@]2(C(C=CC3=C)=O)[H])[H])[H])cc1)F |
| SPLASH |
splash10-0f6t-0910000000-e6a8149882a87508d8b7 |
| Source of Spectrum |
MCS-3-SM20-11c |
| Wiley ID |
1864111 |
