SpectraBase Spectrum ID |
J2qCcXn7h4G |
Name |
Terephthalic acid, isobutyl 2-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/c1-14(2)13-25-20(23)17-9-7-16(8-10-17)19(22)24-12-11-15-5-3-4-6-18(15)21/h3-10,14H,11-13H2,1-2H3 |
InChIKey |
GJFZYHRYUGGCHI-UHFFFAOYSA-N |
Molecular Weight |
344.382 g/mol |
SMILES |
C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OCCC1=C(C=CC=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918539 |