| SpectraBase Spectrum ID |
wZbN76IEuv |
| Name |
2'-Hydroxy-5'-methoxyacetophenone, heptafluorobutyrate |
| 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/c1-6(21)8-5-7(23-2)3-4-9(8)24-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3 |
| InChIKey |
SALNCBFGNILGCB-UHFFFAOYSA-N |
| Molecular Weight |
362.200 g/mol |
| SMILES |
C1(C(=O)C)=C(C=CC(=C1)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963323 |
