| SpectraBase Spectrum ID |
ByrAMmd0sot |
| Name |
Terephthalic acid, butyl 4-fluorophenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.142387315 u |
| Formula |
C20H21FO4 |
| InChI |
InChI=1S/C20H21FO4/c1-2-3-13-24-19(22)16-6-8-17(9-7-16)20(23)25-14-12-15-4-10-18(21)11-5-15/h4-11H,2-3,12-14H2,1H3 |
| InChIKey |
XVINQLQRNYMTDZ-UHFFFAOYSA-N |
| Molecular Weight |
344.382 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OCCC1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913827 |
