| SpectraBase Spectrum ID |
20v9XYSJhKg |
| Name |
Benzamide, 4-nitro-N-benzyl-N-(hept-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.194342702 u |
| Formula |
C21H26N2O3 |
| InChI |
InChI=1S/C21H26N2O3/c1-3-4-6-9-17(2)22(16-18-10-7-5-8-11-18)21(24)19-12-14-20(15-13-19)23(25)26/h5,7-8,10-15,17H,3-4,6,9,16H2,1-2H3 |
| InChIKey |
MDNZZDCONOLKIF-UHFFFAOYSA-N |
| Molecular Weight |
354.450 g/mol |
| SMILES |
C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949354 |
