| SpectraBase Spectrum ID |
4PGPnXDVLu6 |
| Name |
Benzamide, 4-nitro-N-butyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.209992767 u |
| Formula |
C18H28N2O3 |
| InChI |
InChI=1S/C18H28N2O3/c1-3-5-7-8-9-15-19(14-6-4-2)18(21)16-10-12-17(13-11-16)20(22)23/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey |
HSMMCGJYLLCATC-UHFFFAOYSA-N |
| Molecular Weight |
320.433 g/mol |
| SMILES |
C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855153 |
