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Quinizarin, o,o'-bis(heptafluorobutyryl)-

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

Quinizarin, o,o'-bis(heptafluorobutyryl)-
SpectraBase Compound ID 4eJodLvdflX
InChI InChI=1S/C22H6F14O6/c23-17(24,19(27,28)21(31,32)33)15(39)41-9-5-6-10(42-16(40)18(25,26)20(29,30)22(34,35)36)12-11(9)13(37)7-3-1-2-4-8(7)14(12)38/h1-6H
InChIKey NQEBLVSYJAYJNS-UHFFFAOYSA-N
Mol Weight 632.26 g/mol
Molecular Formula C22H6F14O6
Exact Mass 631.994082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HL7w9pK92aQ
Name Quinizarin, o,o'-bis(heptafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 631.994082189 u
Formula C22H6F14O6
InChI InChI=1S/C22H6F14O6/c23-17(24,19(27,28)21(31,32)33)15(39)41-9-5-6-10(42-16(40)18(25,26)20(29,30)22(34,35)36)12-11(9)13(37)7-3-1-2-4-8(7)14(12)38/h1-6H
InChIKey NQEBLVSYJAYJNS-UHFFFAOYSA-N
Molecular Weight 632.262 g/mol
SMILES C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1OC(C(C(F)(F)C(F)(F)F)(F)F)=O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)=O