| SpectraBase Spectrum ID |
3x7PAxwLb47 |
| Name |
2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.075450569 u |
| Formula |
C15H12F2O3 |
| InChI |
InChI=1S/C15H12F2O3/c1-9-3-8-12(16)13(14(9)17)15(18)20-11-6-4-10(19-2)5-7-11/h3-8H,1-2H3 |
| InChIKey |
UNVDFUZGQSCMBI-UHFFFAOYSA-N |
| Molecular Weight |
278.255 g/mol |
| SMILES |
COC1=CC=C(OC(C2=C(C(=CC=C2F)C)F)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863044 |
