SpectraBase Spectrum ID |
4cLYAACPsiO |
Name |
Benzamide, 4-methoxy-N-3-methylbutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
221.141578854 u |
Formula |
C13H19NO2 |
InChI |
InChI=1S/C13H19NO2/c1-10(2)8-9-14-13(15)11-4-6-12(16-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,14,15) |
InChIKey |
DUJDIWRXPJRGCD-UHFFFAOYSA-N |
Molecular Weight |
221.300 g/mol |
SMILES |
C1=C(C=CC(=C1)OC)C(NCCC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87299 |