SpectraBase Spectrum ID |
Ae4xUaTq2OG |
Name |
3-Fluoro-N-(4-methoxyphenyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.085206791 u |
Formula |
C14H12FNO2 |
InChI |
InChI=1S/C14H12FNO2/c1-18-13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h2-9H,1H3,(H,16,17) |
InChIKey |
QQHQVSLNPRAISI-UHFFFAOYSA-N |
Molecular Weight |
245.253 g/mol |
SMILES |
C=1(F)C=C(C(=O)NC2=CC=C(OC)C=C2)C=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928064 |