| SpectraBase Spectrum ID |
IY2LMuB0BES |
| Name |
2-Methoxyphenylacetic acid, pentafluorobenzoyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.062835026 u |
| Formula |
C16H11F5O3 |
| InChI |
InChI=1S/C16H11F5O3/c1-23-10-5-3-2-4-8(10)6-11(22)24-7-9-12(17)14(19)16(21)15(20)13(9)18/h2-5H,6-7H2,1H3 |
| InChIKey |
AQXIBMNSKADYMW-UHFFFAOYSA-N |
| Molecular Weight |
346.253 g/mol |
| SMILES |
C1=C(C(=CC=C1)CC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933542 |
