| SpectraBase Spectrum ID |
HX6DRjqf5Mf |
| Name |
4'-Hydroxy-3'-methoxyacetophenone, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.042099581 u |
| Formula |
C12H9F5O4 |
| InChI |
InChI=1S/C12H9F5O4/c1-6(18)7-3-4-8(9(5-7)20-2)21-10(19)11(13,14)12(15,16)17/h3-5H,1-2H3 |
| InChIKey |
VYFGIABQVRLBMT-UHFFFAOYSA-N |
| Molecular Weight |
312.192 g/mol |
| SMILES |
C1(=CC(OC)=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839552 |
