SpectraBase Spectrum ID |
A9EJT7Rgzf |
Name |
3-(4-Aminophenyl)-N-methylpropanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
178.110613078 u |
Formula |
C10H14N2O |
InChI |
InChI=1S/C10H14N2O/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7,11H2,1H3,(H,12,13) |
InChIKey |
XDIZSQMXCUSTBN-UHFFFAOYSA-N |
Molecular Weight |
178.235 g/mol |
SMILES |
C(NC)(CCC1=CC=C(C=C1)N)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902216 |