| SpectraBase Spectrum ID |
Di2Sl7Ei3zB |
| Name |
Benzamide, 4-nitro-N-butyl-N-hexyl- |
| 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/c1-3-5-7-8-14-18(13-6-4-2)17(20)15-9-11-16(12-10-15)19(21)22/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey |
ZASIDLVVFYBMNS-UHFFFAOYSA-N |
| Molecular Weight |
306.406 g/mol |
| SMILES |
C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906856 |
