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1,2-Benzenediol, o-hexanoyl-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-hexanoyl-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
SpectraBase Compound ID JmfoXM458xD
InChI InChI=1S/C16H15F7O4/c1-2-3-4-9-12(24)26-10-7-5-6-8-11(10)27-13(25)14(17,18)15(19,20)16(21,22)23/h5-8H,2-4,9H2,1H3
InChIKey CQIQUSFFCJCVTM-UHFFFAOYSA-N
Mol Weight 404.28 g/mol
Molecular Formula C16H15F7O4
Exact Mass 404.085856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2c1E3pJfcW
Name 1,2-Benzenediol, o-hexanoyl-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.085856100 u
Formula C16H15F7O4
InChI InChI=1S/C16H15F7O4/c1-2-3-4-9-12(24)26-10-7-5-6-8-11(10)27-13(25)14(17,18)15(19,20)16(21,22)23/h5-8H,2-4,9H2,1H3
InChIKey CQIQUSFFCJCVTM-UHFFFAOYSA-N
Molecular Weight 404.281 g/mol
SMILES CCCCCC(OC=1C(=CC=CC1)OC(C(F)(C(C(F)(F)F)(F)F)F)=O)=O