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Propanoic acid, pentafluoro-, 4-(2-chlorophenyl)-4-[methyl(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]-3-oxocyclohexyl ester
SpectraBase Compound ID GKQNMZ3WjCn
InChI InChI=1S/C19H14ClF10NO4/c1-31(13(33)16(21,22)18(25,26)27)15(10-4-2-3-5-11(10)20)7-6-9(8-12(15)32)35-14(34)17(23,24)19(28,29)30/h2-5,9H,6-8H2,1H3
InChIKey SVNPTGKFRHKUDN-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 GaCjbgZTvFu
Name Propanoic acid, pentafluoro-, 4-(2-chlorophenyl)-4-[methyl(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]-3-oxocyclohexyl ester
CAS Registry Number 81395-78-0
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(10-4-2-3-5-11(10)20)7-6-9(8-12(15)32)35-14(34)17(23,24)19(28,29)30/h2-5,9H,6-8H2,1H3
InChIKey SVNPTGKFRHKUDN-UHFFFAOYSA-N
Molecular Weight 545.761 g/mol
SMILES C(C(N(C1(C(CC(OC(C(C(F)(F)F)(F)F)=O)CC1)=O)c1c(Cl)cccc1)C)=O)(C(F)(F)F)(F)F
SPLASH splash10-0400-1923000000-7b44b21750825dbaf1fe
Source of Spectrum KO-8-535-5
Synonyms 4-(2-Chlorophenyl)-4-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]-3-oxocyclohexyl 2,2,3,3,3-pentafluoropropanoate Bis(perfluoropropionyl) derivative of hydroxyketamine
Wiley ID 1405140