| SpectraBase Spectrum ID |
LUKwH7JsolN |
| Name |
1H-Isoindole-4-carboxylic acid, 2,3,3a,4,5,7a-hexahydro-5-methyl-3-oxo-2-(phenylmethyl)-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1RS,2SR,3SR,6RS)-8-benzyl-3-methyl-9-oxo-8-azabicyclo[4.3.0]non-4-ene-2-carboxylic acid
(3aR,4S,5S,7aR)-2-benzyl-5-methyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid |
| CAS Registry Number |
122457-61-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c1-11-7-8-13-10-18(9-12-5-3-2-4-6-12)16(19)15(13)14(11)17(20)21/h2-8,11,13-15H,9-10H2,1H3,(H,20,21)/t11-,13-,14-,15+/m0/s1 |
| InChIKey |
URLFMYXKPBGESV-CYUUQNCZSA-N |
| Molecular Weight |
285.343 g/mol |
| SMILES |
OC([C@@]1([C@@]2(C(N(C[C@@]2(C=C[C@@]1(C)[H])[H])Cc1ccccc1)=O)[H])[H])=O |
| SPLASH |
splash10-0006-9020000000-6410eb7268b92a910a57 |
| Source of Spectrum |
KC-1989-1004-50 |
| Wiley ID |
1289055 |
