| SpectraBase Spectrum ID |
49r4E6oqukR |
| Name |
Pentafluorobenzoic acid, 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.047184962 u |
| Formula |
C15H9F5O3 |
| InChI |
InChI=1S/C15H9F5O3/c1-22-8-4-2-7(3-5-8)6-23-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey |
BEXMXUIFNXNJMP-UHFFFAOYSA-N |
| Molecular Weight |
332.226 g/mol |
| SMILES |
COC1=CC=C(C=C1)COC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920214 |
