| SpectraBase Spectrum ID |
4Vp17Jw7xJL |
| Name |
Terephthalic acid, 4-fluoro-2-methoxyphenyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.121651870 u |
| Formula |
C19H19FO5 |
| InChI |
InChI=1S/C19H19FO5/c1-12(2)11-24-18(21)13-4-6-14(7-5-13)19(22)25-16-9-8-15(20)10-17(16)23-3/h4-10,12H,11H2,1-3H3 |
| InChIKey |
RLHXLJIDMHPWCF-UHFFFAOYSA-N |
| Molecular Weight |
346.354 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC(C)C)=O)C(OC1=C(C=C(C=C1)F)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899948 |
