| SpectraBase Spectrum ID |
9M7czbkYIFb |
| Name |
Benzoic acid, (2,3,6-trifluorophenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.055464017 u |
| Formula |
C14H9F3O2 |
| InChI |
InChI=1S/C14H9F3O2/c15-11-6-7-12(16)13(17)10(11)8-19-14(18)9-4-2-1-3-5-9/h1-7H,8H2 |
| InChIKey |
ZEDUBKCENPXGOW-UHFFFAOYSA-N |
| Molecular Weight |
266.219 g/mol |
| SMILES |
C1=CC(=C(C(=C1F)F)COC(C1=CC=CC=C1)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914602 |
