| SpectraBase Spectrum ID |
Eq1A5PHwarH |
| Name |
p-Coumaric acid, trifluoroacetate, trifluoroacetic acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.011942266 u |
| Formula |
C13H6F6O5 |
| InChI |
InChI=1S/C13H6F6O5/c14-12(15,16)10(21)23-8-4-1-7(2-5-8)3-6-9(20)24-11(22)13(17,18)19/h1-6H/b6-3+ |
| InChIKey |
NSTRAAJPDIORBV-ZZXKWVIFSA-N |
| Molecular Weight |
356.176 g/mol |
| SMILES |
C1=CC(=CC=C1\C=C\C(=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9862 |
