| SpectraBase Spectrum ID |
9LX59wkY79G |
| Name |
1H-Isoindol-1-one, 2,3-dihydro-2-(phenylmethyl)-3-(2-propenylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.115364106 u |
| Formula |
C18H15NO |
| InChI |
InChI=1S/C18H15NO/c1-2-8-17-15-11-6-7-12-16(15)18(20)19(17)13-14-9-4-3-5-10-14/h2-12H,1,13H2/b17-8- |
| InChIKey |
BRDCESFZSLDTOO-IUXPMGMMSA-N |
| Molecular Weight |
261.324 g/mol |
| SMILES |
C1(N(\C(C=2C=CC=CC12)=C\C=C)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911382 |
