| SpectraBase Spectrum ID |
EOfDBgoz2H1 |
| Name |
Terephthalic acid, 3,4-difluorobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.086015253 u |
| Formula |
C17H14F2O4 |
| InChI |
InChI=1S/C17H14F2O4/c1-2-22-16(20)12-4-6-13(7-5-12)17(21)23-10-11-3-8-14(18)15(19)9-11/h3-9H,2,10H2,1H3 |
| InChIKey |
VPKPSPWKSGPIIW-UHFFFAOYSA-N |
| Molecular Weight |
320.292 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895691 |
