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Propanoic acid, pentafluoro-, 3-(2-chlorophenyl)-3-[methyl(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]-2-oxocyclohexyl ester

View entire compound with spectra: 1 MS (GC)

Propanoic acid, pentafluoro-, 3-(2-chlorophenyl)-3-[methyl(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]-2-oxocyclohexyl ester
SpectraBase Compound ID Ilk3L9is51o
InChI InChI=1S/C19H14ClF10NO4/c1-31(13(33)16(21,22)18(25,26)27)15(9-5-2-3-6-10(9)20)8-4-7-11(12(15)32)35-14(34)17(23,24)19(28,29)30/h2-3,5-6,11H,4,7-8H2,1H3
InChIKey YBMMISMEVMJICM-UHFFFAOYSA-N
Mol Weight 545.76 g/mol
Molecular Formula C19H14ClF10NO4
Exact Mass 545.045167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJRUcMLJdlB
Name Propanoic acid, pentafluoro-, 3-(2-chlorophenyl)-3-[methyl(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]-2-oxocyclohexyl ester
CAS Registry Number 81395-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClF10NO4
InChI InChI=1S/C19H14ClF10NO4/c1-31(13(33)16(21,22)18(25,26)27)15(9-5-2-3-6-10(9)20)8-4-7-11(12(15)32)35-14(34)17(23,24)19(28,29)30/h2-3,5-6,11H,4,7-8H2,1H3
InChIKey YBMMISMEVMJICM-UHFFFAOYSA-N
Molecular Weight 545.761 g/mol
SMILES C(C(N(C1(C(C(OC(C(C(F)(F)F)(F)F)=O)CCC1)=O)c1c(Cl)cccc1)C)=O)(C(F)(F)F)(F)F
SPLASH splash10-02vi-5951000000-b695408f5112e5ca2354
Source of Spectrum KO-8-535-5
Synonyms 3-(2-Chlorophenyl)-3-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxocyclohexyl 2,2,3,3,3-pentafluoropropanoate Bis(perfluoropropionyl) derivative of hydroxyketamine
Wiley ID 1405141