SpectraBase Spectrum ID |
3kDeXI0GIL2 |
Name |
Benzamide, 4-nitro-N-(2-butyl)-N-propyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
264.147392509 u |
Formula |
C14H20N2O3 |
InChI |
InChI=1S/C14H20N2O3/c1-4-10-15(11(3)5-2)14(17)12-6-8-13(9-7-12)16(18)19/h6-9,11H,4-5,10H2,1-3H3 |
InChIKey |
MWWVSSVAMLVYSF-UHFFFAOYSA-N |
Molecular Weight |
264.325 g/mol |
SMILES |
C(C1=CC=C(C=C1)N(=O)=O)(=O)N(CCC)C(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915737 |