| SpectraBase Spectrum ID |
4nyx7DbCfSH |
| Name |
Phthalic 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)13-5-3-4-6-14(13)17(21)23-10-11-9-12(18)7-8-15(11)19/h3-9H,2,10H2,1H3 |
| InChIKey |
ILWSBQQALBNMIA-UHFFFAOYSA-N |
| Molecular Weight |
320.292 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900637 |
