| SpectraBase Spectrum ID |
1bN06fQNdMb |
| Name |
Pyrrolidine-2,5-dione, 3-benzyl-1-(3-bromo-4-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.036441757 u |
| Formula |
C18H16BrNO2 |
| InChI |
InChI=1S/C18H16BrNO2/c1-12-7-8-15(11-16(12)19)20-17(21)10-14(18(20)22)9-13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3 |
| InChIKey |
ZFMJFWBMVCGLNU-UHFFFAOYSA-N |
| Molecular Weight |
358.235 g/mol |
| SMILES |
C1(CC(CC2=CC=CC=C2)C(N1C1=CC(=C(C=C1)C)Br)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882916 |
