| SpectraBase Spectrum ID |
30W6TO98K1B |
| Name |
2,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.091100634 u |
| Formula |
C20H14F2O3 |
| InChI |
InChI=1S/C20H14F2O3/c21-15-6-11-18(19(22)12-15)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2 |
| InChIKey |
AZKRXQFCVMPMGG-UHFFFAOYSA-N |
| Molecular Weight |
340.326 g/mol |
| SMILES |
C1=CC=C(C=C1)COC1=CC=C(OC(C2=C(C=C(F)C=C2)F)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931744 |
