| SpectraBase Spectrum ID |
54xbtBPENQj |
| Name |
Phthalic acid, di(2,3,6-trifluorobenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.063977840 u |
| Formula |
C22H12F6O4 |
| InChI |
InChI=1S/C22H12F6O4/c23-12-7-11(19(27)18(26)8-12)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-15-16(24)5-6-17(25)20(15)28/h1-8H,9-10H2 |
| InChIKey |
HBMGJRRVGGKFNE-UHFFFAOYSA-N |
| Molecular Weight |
454.324 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC=1C(F)=CC=C(F)C1F)=O)(OCC1=C(C(=CC(=C1)F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829032 |
