| SpectraBase Spectrum ID |
92Xia8cdMuG |
| Name |
Terephthalic acid, 3,4-difluorobenzyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.148615510 u |
| Formula |
C21H22F2O4 |
| InChI |
InChI=1S/C21H22F2O4/c1-2-3-4-5-12-26-20(24)16-7-9-17(10-8-16)21(25)27-14-15-6-11-18(22)19(23)13-15/h6-11,13H,2-5,12,14H2,1H3 |
| InChIKey |
HHILEJJPNYEXDA-UHFFFAOYSA-N |
| Molecular Weight |
376.400 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81745 |
