| SpectraBase Spectrum ID |
ESQGkj3ypnd |
| Name |
3-Hydroxyphenylacetic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.038905907 u |
| Formula |
C13H9F7O4 |
| InChI |
InChI=1S/C13H9F7O4/c14-10(15)12(16,17)6-23-9(21)5-7-2-1-3-8(4-7)24-11(22)13(18,19)20/h1-4,10H,5-6H2 |
| InChIKey |
HYWFTVFNZSQYTR-UHFFFAOYSA-N |
| Molecular Weight |
362.200 g/mol |
| SMILES |
C(CC1=CC(OC(C(F)(F)F)=O)=CC=C1)(OCC(C(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924321 |
