| SpectraBase Spectrum ID |
4KCIEapClXw |
| Name |
4'-Hydroxy-3'-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)7-3-4-8(9(5-7)23-2)24-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3 |
| InChIKey |
OZXPCJJAUGSZNL-UHFFFAOYSA-N |
| Molecular Weight |
362.200 g/mol |
| SMILES |
C1(=CC(OC)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872768 |
