| SpectraBase Spectrum ID |
CaZ8AqW07Pd |
| Name |
2,5-Difluorobenzoic acid, 4-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.096186015 u |
| Formula |
C16H14F2O2 |
| InChI |
InChI=1S/C16H14F2O2/c1-10(2)11-3-6-13(7-4-11)20-16(19)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3 |
| InChIKey |
KFCQTIFCANEMGQ-UHFFFAOYSA-N |
| Molecular Weight |
276.283 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=CC(=CC=C1F)F)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925341 |
