| SpectraBase Spectrum ID |
JntsOknQNud |
| Name |
Benzamide, 4-nitro-N-(2-pentyl)-N-pentyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.194342702 u |
| Formula |
C17H26N2O3 |
| InChI |
InChI=1S/C17H26N2O3/c1-4-6-7-13-18(14(3)8-5-2)17(20)15-9-11-16(12-10-15)19(21)22/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey |
ZXPUXSZPIFXEON-UHFFFAOYSA-N |
| Molecular Weight |
306.406 g/mol |
| SMILES |
C(N(C(CCC)C)C(C1=CC=C(C=C1)N(=O)=O)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94322 |
