| SpectraBase Spectrum ID |
83jYl9LHxvf |
| Name |
2-(2-Bromobenzyl)-3-(Z)-(benzylidene)-2,3-dihydro-1H-isoindol-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.041527138 u |
| Formula |
C22H16BrNO |
| InChI |
InChI=1S/C22H16BrNO/c23-20-13-7-4-10-17(20)15-24-21(14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)22(24)25/h1-14H,15H2/b21-14- |
| InChIKey |
QQDYLZXBTBLFDA-STZFKDTASA-N |
| Molecular Weight |
390.280 g/mol |
| SMILES |
C1(N(\C(C=2C=CC=CC12)=C\C=1C=CC=CC1)CC=1C(=CC=CC1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863502 |
