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8-Chloro-1-octanol, heptafluorobutyrate
SpectraBase Compound ID IgkiTFMX01G
InChI InChI=1S/C12H16ClF7O2/c13-7-5-3-1-2-4-6-8-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-8H2
InChIKey VINASGSKHLWKGN-UHFFFAOYSA-N
Mol Weight 360.7 g/mol
Molecular Formula C12H16ClF7O2
Exact Mass 360.072705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKnB42uCWtW
Name 8-Chloro-1-octanol, heptafluorobutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.072704594 u
Formula C12H16ClF7O2
InChI InChI=1S/C12H16ClF7O2/c13-7-5-3-1-2-4-6-8-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-8H2
InChIKey VINASGSKHLWKGN-UHFFFAOYSA-N
Molecular Weight 360.700 g/mol
SMILES C(Cl)CCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F