SpectraBase Spectrum ID |
HynL3rQUek8 |
Name |
Phenyl 2-amino-5-fluorobenzoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.069556727 u |
Formula |
C13H10FNO2 |
InChI |
InChI=1S/C13H10FNO2/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h1-8H,15H2 |
InChIKey |
SQSWOZPTGULKDF-UHFFFAOYSA-N |
Molecular Weight |
231.226 g/mol |
SMILES |
C=1(C=C(C(N)=CC1)C(OC1=CC=CC=C1)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944342 |