| SpectraBase Spectrum ID |
YzkvegOq7D |
| Name |
Benzamide, 4-nitro-N-butyl-N-pentyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.178692638 u |
| Formula |
C16H24N2O3 |
| InChI |
InChI=1S/C16H24N2O3/c1-3-5-7-13-17(12-6-4-2)16(19)14-8-10-15(11-9-14)18(20)21/h8-11H,3-7,12-13H2,1-2H3 |
| InChIKey |
LWEZFDMCYDUZCZ-UHFFFAOYSA-N |
| SMILES |
C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957232 |
