For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2'-Hydroxy-6'-methoxyacetophenone, heptafluorobutyrate

View entire compound with spectra: 1 NMR, and 1 FTIR

2'-Hydroxy-6'-methoxyacetophenone, heptafluorobutyrate
SpectraBase Compound ID HTBv5z3EsFO
InChI InChI=1S/C13H9F7O4/c1-6(21)9-7(23-2)4-3-5-8(9)24-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3
InChIKey KTPQPODNYGRNJF-UHFFFAOYSA-N
Mol Weight 362.2 g/mol
Molecular Formula C13H9F7O4
Exact Mass 362.038906 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A3DfGckXuTo
Name 2'-Hydroxy-6'-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)9-7(23-2)4-3-5-8(9)24-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3
InChIKey KTPQPODNYGRNJF-UHFFFAOYSA-N
Molecular Weight 362.200 g/mol
SMILES C1(C(=O)C)=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C1OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862835