| SpectraBase Spectrum ID |
5y4ytLPyCWA |
| Name |
3-Fluorobenzoic acid, 2-isopropoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.100522503 u |
| Formula |
C16H15FO3 |
| InChI |
InChI=1S/C16H15FO3/c1-11(2)19-14-8-3-4-9-15(14)20-16(18)12-6-5-7-13(17)10-12/h3-11H,1-2H3 |
| InChIKey |
XDJUPJJTOYOWQQ-UHFFFAOYSA-N |
| Molecular Weight |
274.291 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(OC1=CC=CC=C1OC(C)C)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911586 |
