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3,4-Dihydroxybenzophenone, bis(heptafluorobutyrate)

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

3,4-Dihydroxybenzophenone, bis(heptafluorobutyrate)
SpectraBase Compound ID 34BCFxa6CV1
InChI InChI=1S/C21H8F14O5/c22-16(23,18(26,27)20(30,31)32)14(37)39-11-7-6-10(13(36)9-4-2-1-3-5-9)8-12(11)40-15(38)17(24,25)19(28,29)21(33,34)35/h1-8H
InChIKey JALHJTPIJDZBSI-UHFFFAOYSA-N
Mol Weight 606.27 g/mol
Molecular Formula C21H8F14O5
Exact Mass 606.014818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7p1m0SA3igM
Name 3,4-Dihydroxybenzophenone, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 606.014817635 u
Formula C21H8F14O5
InChI InChI=1S/C21H8F14O5/c22-16(23,18(26,27)20(30,31)32)14(37)39-11-7-6-10(13(36)9-4-2-1-3-5-9)8-12(11)40-15(38)17(24,25)19(28,29)21(33,34)35/h1-8H
InChIKey JALHJTPIJDZBSI-UHFFFAOYSA-N
Molecular Weight 606.268 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC(=C1)C(=O)C1=CC=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F