| SpectraBase Spectrum ID |
L1nYRdl77xi |
| Name |
Isophthalic acid, di(3,5-difluorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.051521450 u |
| Formula |
C20H10F4O4 |
| InChI |
InChI=1S/C20H10F4O4/c21-13-5-14(22)8-17(7-13)27-19(25)11-2-1-3-12(4-11)20(26)28-18-9-15(23)6-16(24)10-18/h1-10H |
| InChIKey |
MPMAROPAUILXGC-UHFFFAOYSA-N |
| Molecular Weight |
390.290 g/mol |
| SMILES |
C1=C(C=C(C=C1F)F)OC(C1=CC(=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89885 |
