SpectraBase Spectrum ID |
1jOCiGB6C5L |
Name |
N-[1-(4-Fluoro-2,5-dimethoxyphenyl)propan-2-yl]benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.142721668 u |
Formula |
C18H20FNO3 |
InChI |
InChI=1S/C18H20FNO3/c1-12(20-18(21)13-7-5-4-6-8-13)9-14-10-17(23-3)15(19)11-16(14)22-2/h4-8,10-12H,9H2,1-3H3,(H,20,21) |
InChIKey |
WCVREHAPLPCQBC-UHFFFAOYSA-N |
Molecular Weight |
317.360 g/mol |
SMILES |
C=1(C(=CC(=C(C1)OC)F)OC)CC(NC(C=1C=CC=CC1)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91094 |