| SpectraBase Spectrum ID |
963xRT8XDtV |
| Name |
Benzoic acid, (2,3,4,5-tetrafluorophenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.046042148 u |
| Formula |
C14H8F4O2 |
| InChI |
InChI=1S/C14H8F4O2/c15-10-6-9(11(16)13(18)12(10)17)7-20-14(19)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIKey |
QSTMIULCOVQQIB-UHFFFAOYSA-N |
| Molecular Weight |
284.210 g/mol |
| SMILES |
C1(=C(C=C(C(=C1F)F)COC(C1=CC=CC=C1)=O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923049 |
