| SpectraBase Spectrum ID |
Cjt7PVmlDDH |
| Name |
N-(6-Methyl-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.095356935 u |
| Formula |
C13H14N2O4 |
| InChI |
InChI=1S/C13H14N2O4/c1-9-4-2-6-11(15(18)19)12(9)13(17)14-7-3-5-10(14)8-16/h2,4,6,8,10H,3,5,7H2,1H3 |
| InChIKey |
OUIFJCUQEACBBW-UHFFFAOYSA-N |
| SMILES |
C(C=1C(N(=O)=O)=CC=CC1C)(N1C(C=O)CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959654 |
