| SpectraBase Spectrum ID |
FjICOCd9jXm |
| Name |
Phthalic acid, 3,5-difluorophenyl 4-formylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.065279807 u |
| Formula |
C21H12F2O5 |
| InChI |
InChI=1S/C21H12F2O5/c22-14-9-15(23)11-17(10-14)28-21(26)19-4-2-1-3-18(19)20(25)27-16-7-5-13(12-24)6-8-16/h1-12H |
| InChIKey |
TXVIGQJMFQYTFA-UHFFFAOYSA-N |
| Molecular Weight |
382.319 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC1=CC=C(C=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887725 |
