| SpectraBase Spectrum ID |
8myKq5IlrR5 |
| Name |
Phthalic acid, 3,5-difluorophenyl 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.086015253 u |
| Formula |
C21H14F2O4 |
| InChI |
InChI=1S/C21H14F2O4/c1-13-5-4-6-16(9-13)26-20(24)18-7-2-3-8-19(18)21(25)27-17-11-14(22)10-15(23)12-17/h2-12H,1H3 |
| InChIKey |
SDUPHOMQPHBNOM-UHFFFAOYSA-N |
| Molecular Weight |
368.336 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC1=CC(C)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855449 |
