| SpectraBase Spectrum ID |
35CAhVUUQRk |
| Name |
(3as,7ar)-2-Methyl-5-(1-phenylvinyl)-3A,4,7,7A-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.125928789 u |
| Formula |
C17H17NO2 |
| InChI |
InChI=1S/C17H17NO2/c1-11(12-6-4-3-5-7-12)13-8-9-14-15(10-13)17(20)18(2)16(14)19/h3-8,14-15H,1,9-10H2,2H3/t14-,15+/m1/s1 |
| InChIKey |
UTSLOUBSBQNNPX-CABCVRRESA-N |
| SMILES |
C1(=CC[C@@]2([C@@]([H])(C(N(C)C2=O)=O)C1)[H])C(C1=CC=CC=C1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959547 |
