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Acetic acid, [(1-cyanocyclohexyl)(2-phenylethyl)amino]oxo-, methyl ester
SpectraBase Compound ID IyA6x7fgAXh
InChI InChI=1S/C18H22N2O3/c1-23-17(22)16(21)20(13-10-15-8-4-2-5-9-15)18(14-19)11-6-3-7-12-18/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKey SQWZZBHPIZLHNJ-UHFFFAOYSA-N
Mol Weight 314.39 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3rid2glLqq
Name Acetic acid, [(1-cyanocyclohexyl)(2-phenylethyl)amino]oxo-, methyl ester
Alternate Name(s) Methyl ester of N-1(1-cyano-1-cyclohexyl)-N-(2-phenylethyl)amino-2-oxalic acid Methyl[(1-cyanocyclohexyl)(2-phenylethyl)amino](oxo)acetate
CAS Registry Number 87486-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-23-17(22)16(21)20(13-10-15-8-4-2-5-9-15)18(14-19)11-6-3-7-12-18/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKey SQWZZBHPIZLHNJ-UHFFFAOYSA-N
Molecular Weight 314.385 g/mol
SMILES C(N(C1(C#N)CCCCC1)CCc1ccccc1)(C(=O)OC)=O
SPLASH splash10-03di-0932000000-01192f800038f5a96b5f
Source of Spectrum Y-20-922-0
Wiley ID 1315146