| SpectraBase Spectrum ID |
FnBH9rLZceH |
| Name |
Terephthalic acid, 2,5-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)11-3-5-12(6-4-11)17(21)23-10-13-9-14(18)7-8-15(13)19/h3-9H,2,10H2,1H3 |
| InChIKey |
NBCOYDZIMKLTLT-UHFFFAOYSA-N |
| Molecular Weight |
320.292 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC1=C(C=CC(=C1)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896529 |
