| SpectraBase Spectrum ID |
GWxIVuthB2F |
| Name |
N-(1-(4-Methoxy-3-methylphenyl)butan-2-yl)propionamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-5-13(16-15(17)6-2)10-12-7-8-14(18-4)11(3)9-12/h7-9,13H,5-6,10H2,1-4H3,(H,16,17) |
| InChIKey |
BJBQNICFXWNIKT-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C1=C(C(=CC(=C1)CC(NC(CC)=O)CC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936336 |
