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Propanoic acid, pentafluoro-, 4-(2-chlorophenyl)-3-oxo-4-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]cyclohexyl ester, trans-
SpectraBase Compound ID GwxHISK7M9T
InChI InChI=1S/C18H12ClF10NO4/c19-10-4-2-1-3-9(10)14(30-12(32)15(20,21)17(24,25)26)6-5-8(7-11(14)31)34-13(33)16(22,23)18(27,28)29/h1-4,8H,5-7H2,(H,30,32)/t8-,14+/m1/s1
InChIKey LGFQCCHBNYKDCY-CLAHSXSESA-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 EuhxAAWvjEr
Name Propanoic acid, pentafluoro-, 4-(2-chlorophenyl)-3-oxo-4-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]cyclohexyl ester, trans-
Alternate Name(s) (1R,4S)-4-(2-chlorophenyl)-3-oxo-4-[(2,2,3,3,3-pentafluoropropanoyl)amino]cyclohexyl 2,2,3,3,3-pentafluoropropanoate Bis(perfluoropropionyl) derivatives of hydroxynorketamine isomers
CAS Registry Number 81395-67-7
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)6-5-8(7-11(14)31)34-13(33)16(22,23)18(27,28)29/h1-4,8H,5-7H2,(H,30,32)/t8-,14+/m1/s1
InChIKey LGFQCCHBNYKDCY-CLAHSXSESA-N
Molecular Weight 531.734 g/mol
SMILES N([C@]1(C(C[C@](OC(C(C(F)(F)F)(F)F)=O)(CC1)[H])=O)c1c(Cl)cccc1)C(C(C(F)(F)F)(F)F)=O
SPLASH splash10-014i-9711100000-b0e648200cd6cfe30fb3
Source of Spectrum KO-8-533-4
Wiley ID 1403442