SpectraBase Spectrum ID |
H7AzxHV8P3C |
Name |
Benzamide, 4-nitro-N-(2-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/c1-4-6-7-12-17(13(3)5-2)16(19)14-8-10-15(11-9-14)18(20)21/h8-11,13H,4-7,12H2,1-3H3 |
InChIKey |
RNEWWSPDZKTCQC-UHFFFAOYSA-N |
SMILES |
C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCCCC)C(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94337 |