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

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1,2-Benzenediol, o-cyclohexanecarbonyl-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
SpectraBase Compound ID GJwWaE4i1B8
InChI InChI=1S/C17H15F7O4/c18-15(19,16(20,21)17(22,23)24)14(26)28-12-9-5-4-8-11(12)27-13(25)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey SMTYJUWIAUZIJY-UHFFFAOYSA-N
Mol Weight 416.29 g/mol
Molecular Formula C17H15F7O4
Exact Mass 416.085856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Jd5DXoIMJz
Name 1,2-Benzenediol, o-cyclohexanecarbonyl-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 416.085856100 u
Formula C17H15F7O4
InChI InChI=1S/C17H15F7O4/c18-15(19,16(20,21)17(22,23)24)14(26)28-12-9-5-4-8-11(12)27-13(25)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey SMTYJUWIAUZIJY-UHFFFAOYSA-N
Molecular Weight 416.292 g/mol
SMILES C1(=CC=CC=C1OC(C1CCCCC1)=O)OC(C(F)(C(C(F)(F)F)(F)F)F)=O