| SpectraBase Spectrum ID |
CZnAQPLtsaw |
| Name |
Trans-2-hydroxycinnamic acid, o-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.029643190 u |
| Formula |
C11H7F3O4 |
| InChI |
InChI=1S/C11H7F3O4/c12-11(13,14)10(17)18-8-4-2-1-3-7(8)5-6-9(15)16/h1-6H,(H,15,16)/b6-5+ |
| InChIKey |
DZCUJRBHEVAXRH-AATRIKPKSA-N |
| Molecular Weight |
260.168 g/mol |
| SMILES |
C1(=CC=CC=C1\C=C\C(=O)O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978909 |
