| SpectraBase Spectrum ID |
I4MjQTjwNi0 |
| Name |
Benzamide, 4-nitro-N-isobutyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.100442316 u |
| Formula |
C11H14N2O3 |
| InChI |
InChI=1S/C11H14N2O3/c1-8(2)7-12-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8H,7H2,1-2H3,(H,12,14) |
| InChIKey |
DPXAUDVSHNKGLR-UHFFFAOYSA-N |
| Molecular Weight |
222.244 g/mol |
| SMILES |
C1=C(C=CC(=C1)N(=O)=O)C(NCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9101 |
