| SpectraBase Spectrum ID |
6sdFrtW34Ff |
| Name |
rac-(3aS,4R,4aS,9aS)-2-Benzyl-3-oxo-2,3,3a,4,4a,5,6,7,8,9a-octahydro-1H-benzo[f]isoindol-4-carboxylic acid |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H23NO3 |
| InChI |
InChI=1S/C20H23NO3/c22-19-17-15(12-21(19)11-13-6-2-1-3-7-13)10-14-8-4-5-9-16(14)18(17)20(23)24/h1-3,6-7,10,15-18H,4-5,8-9,11-12H2,(H,23,24)/t15-,16-,17+,18-/m1/s1 |
| InChIKey |
WQGBALRGZWCEAM-ZJPYXAASSA-N |
| Instrument Name |
Finnigan MAT 95 Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.312 |
| Molecular Weight |
325.408 g/mol |
| SMILES |
OC([C@]1([C@]2(C(N(C[C@]2(C=C2CCCC[C@@]12[H])[H])Cc1ccccc1)=O)[H])[H])=O |
| SPLASH |
splash10-0037-8974000000-f8baed61b39427b8fb00 |
| Source of Spectrum |
ARK-2004-128-11 |
| Wiley ID |
1875959 |
![rac-(3aS,4R,4aS,9aS)-2-Benzyl-3-oxo-2,3,3a,4,4a,5,6,7,8,9a-octahydro-1H-benzo[f]isoindol-4-carboxylic acid](/api/spectrum/6sdFrtW34Ff/structure.png?h=300&w=458 "rac-(3aS,4R,4aS,9aS)-2-Benzyl-3-oxo-2,3,3a,4,4a,5,6,7,8,9a-octahydro-1H-benzo[f]isoindol-4-carboxylic acid")
