| SpectraBase Spectrum ID |
7SnWnfE9SC5 |
| Name |
1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.037763093 u |
| Formula |
C12H8F6O3 |
| InChI |
InChI=1S/C12H8F6O3/c13-11(14,15)9(19)6-3-7-1-4-8(5-2-7)21-10(20)12(16,17)18/h1-2,4-5H,3,6H2 |
| InChIKey |
QWFBFWFOSKTLPH-UHFFFAOYSA-N |
| Molecular Weight |
314.183 g/mol |
| SMILES |
C(F)(F)(F)C(=O)CCC1=CC=C(C=C1)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856159 |
