| SpectraBase Spectrum ID |
9kAFK2xuAK7 |
| Name |
2,5-Difluorobenzoic acid, 4-cyanophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.044484793 u |
| Formula |
C14H7F2NO2 |
| InChI |
InChI=1S/C14H7F2NO2/c15-10-3-6-13(16)12(7-10)14(18)19-11-4-1-9(8-17)2-5-11/h1-7H |
| InChIKey |
QOOVFWRGEHPLOF-UHFFFAOYSA-N |
| Molecular Weight |
259.212 g/mol |
| SMILES |
C(C1=CC=C(OC(C2=C(C=CC(=C2)F)F)=O)C=C1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915135 |
