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Propanoic acid, pentafluoro-, 3-(2-chlorophenyl)-4-oxo-3-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]cyclohexyl ester
SpectraBase Compound ID 3No963QcNjl
InChI InChI=1S/C18H12ClF10NO4/c19-10-4-2-1-3-9(10)14(30-12(32)15(20,21)17(24,25)26)7-8(5-6-11(14)31)34-13(33)16(22,23)18(27,28)29/h1-4,8H,5-7H2,(H,30,32)
InChIKey HQKTVHRMUTWNFT-UHFFFAOYSA-N
Mol Weight 531.73 g/mol
Molecular Formula C18H12ClF10NO4
Exact Mass 531.029517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKRkACYXDGQ
Name Propanoic acid, pentafluoro-, 3-(2-chlorophenyl)-4-oxo-3-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]cyclohexyl ester
CAS Registry Number 81395-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClF10NO4
InChI InChI=1S/C18H12ClF10NO4/c19-10-4-2-1-3-9(10)14(30-12(32)15(20,21)17(24,25)26)7-8(5-6-11(14)31)34-13(33)16(22,23)18(27,28)29/h1-4,8H,5-7H2,(H,30,32)
InChIKey HQKTVHRMUTWNFT-UHFFFAOYSA-N
Molecular Weight 531.734 g/mol
SMILES N(C(C(C(F)(F)F)(F)F)=O)C1(c2c(Cl)cccc2)C(=O)CCC(OC(C(C(F)(F)F)(F)F)=O)C1
SPLASH splash10-014i-3911200000-1133b49a7a7116534b13
Source of Spectrum KO-8-533-4
Synonyms 3-(2-Chlorophenyl)-4-oxo-3-[(2,2,3,3,3-pentafluoropropanoyl)amino]cyclohexyl 2,2,3,3,3-pentafluoropropanoate Bis(perfluoropropionyl) derivatives of hydroxynorketamine isomers
Wiley ID 1403443