SpectraBase Spectrum ID |
FG6lr5giXBW |
Name |
Acetamide, 2-(4-nitrophenyl)-N-(2-butyl)-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.131742445 u |
Formula |
C13H18N2O3 |
InChI |
InChI=1S/C13H18N2O3/c1-4-10(2)14(3)13(16)9-11-5-7-12(8-6-11)15(17)18/h5-8,10H,4,9H2,1-3H3 |
InChIKey |
YYOKJQSGPPGJRE-UHFFFAOYSA-N |
Molecular Weight |
250.298 g/mol |
SMILES |
C1=C(C=CC(=C1)N(=O)=O)CC(N(C)C(CC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919259 |