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N-[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-2,2,3,3,4,4,4-heptafluoro-butanamide
SpectraBase Compound ID JF4CQ3FU6Fo
InChI InChI=1S/C16H13ClF7NO2/c17-10-6-2-1-5-9(10)13(8-4-3-7-11(13)26)25-12(27)14(18,19)15(20,21)16(22,23)24/h1-2,5-6H,3-4,7-8H2,(H,25,27)
InChIKey OALTWNVIXCXCPR-UHFFFAOYSA-N
Mol Weight 419.73 g/mol
Molecular Formula C16H13ClF7NO2
Exact Mass 419.052304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4z2yWx1MX2
Name N-[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-2,2,3,3,4,4,4-heptafluoro-butanamide
Alternate Name(s) N-(1-(2-chlorophenyl)-2-oxocyclohexyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClF7NO2
InChI InChI=1S/C16H13ClF7NO2/c17-10-6-2-1-5-9(10)13(8-4-3-7-11(13)26)25-12(27)14(18,19)15(20,21)16(22,23)24/h1-2,5-6H,3-4,7-8H2,(H,25,27)
InChIKey OALTWNVIXCXCPR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.3409
Molecular Weight 419.727 g/mol
SMILES N(C1(C(CCCC1)=O)c1c(cccc1)Cl)C(=O)C(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-07c6-2906000000-758a5fec700ad80a9416
Source of Spectrum RCM-22-893-NK_HFBA
Wiley ID 1814588