| SpectraBase Spectrum ID |
GoynoFcB5c5 |
| Name |
Benzamide, 4-nitro-N-(2-pentyl)-N-butyl- |
| 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/c1-4-6-12-17(13(3)7-5-2)16(19)14-8-10-15(11-9-14)18(20)21/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey |
CFKLTBUETVJQMT-UHFFFAOYSA-N |
| SMILES |
C(N(C(CCC)C)C(C1=CC=C(C=C1)N(=O)=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883715 |
