| SpectraBase Spectrum ID |
FHCA7EXkPb9 |
| Name |
Terephthalic acid, 3,4-difluorobenzyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.117315382 u |
| Formula |
C19H18F2O4 |
| InChI |
InChI=1S/C19H18F2O4/c1-12(2)10-24-18(22)14-4-6-15(7-5-14)19(23)25-11-13-3-8-16(20)17(21)9-13/h3-9,12H,10-11H2,1-2H3 |
| InChIKey |
HLWWDFAUBHEVKK-UHFFFAOYSA-N |
| Molecular Weight |
348.346 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815881 |
