| SpectraBase Spectrum ID |
A39oUkXpfQ5 |
| Name |
Pyrrolidin-3-carboxamide, N-(4-bromo-3-methylphenyl)-1-(2-methylphenyl)-5-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.062990858 u |
| Formula |
C19H19BrN2O2 |
| InChI |
InChI=1S/C19H19BrN2O2/c1-12-5-3-4-6-17(12)22-11-14(10-18(22)23)19(24)21-15-7-8-16(20)13(2)9-15/h3-9,14H,10-11H2,1-2H3,(H,21,24) |
| InChIKey |
SLSHAVVFWJHPAN-UHFFFAOYSA-N |
| Molecular Weight |
387.277 g/mol |
| SMILES |
C1=CC=C(N2C(CC(C2)C(NC=2C=C(C)C(=CC2)Br)=O)=O)C(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829539 |
