| SpectraBase Spectrum ID |
IfPa4VRjZca |
| Name |
3-Pyrrolidinecarboxamide, N-(4-bromophenyl)-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 |
372.047340793 u |
| Formula |
C18H17BrN2O2 |
| InChI |
InChI=1S/C18H17BrN2O2/c1-12-4-2-3-5-16(12)21-11-13(10-17(21)22)18(23)20-15-8-6-14(19)7-9-15/h2-9,13H,10-11H2,1H3,(H,20,23) |
| InChIKey |
GWSHGIPVBLXMCJ-UHFFFAOYSA-N |
| Molecular Weight |
373.250 g/mol |
| SMILES |
C=1C=CC(N2C(CC(C2)C(NC=2C=CC(=CC2)Br)=O)=O)=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871982 |
