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Ethyl 4-cyano-4-(3',5'-dimethyl-4'-isoxazolyl)-3-phenylbutyrate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-cyano-4-(3',5'-dimethyl-4'-isoxazolyl)-3-phenylbutyrate
SpectraBase Compound ID 3n1g6ol2vtl
InChI InChI=1S/C18H20N2O3/c1-4-22-17(21)10-15(14-8-6-5-7-9-14)16(11-19)18-12(2)20-23-13(18)3/h5-9,15-16H,4,10H2,1-3H3
InChIKey GFJDFHCZIDTOFN-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C18H20N2O3
Exact Mass 312.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VK0gVw8oYM
Name Ethyl 4-cyano-4-(3',5'-dimethyl-4'-isoxazolyl)-3-phenylbutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O3
InChI InChI=1S/C18H20N2O3/c1-4-22-17(21)10-15(14-8-6-5-7-9-14)16(11-19)18-12(2)20-23-13(18)3/h5-9,15-16H,4,10H2,1-3H3
InChIKey GFJDFHCZIDTOFN-UHFFFAOYSA-N
Molecular Weight 312.369 g/mol
SMILES c1(C(C(CC(=O)OCC)c2ccccc2)C#N)c(onc1C)C
SPLASH splash10-0a4i-2900000000-7db3343b8aa57ed5411d
Source of Spectrum Y4-83-192-48
Synonyms Ethyl 4-cyano-4-(3',5'-dimethyl-4'-oxazolyl)-3-phenylbutyrate Ethyl 4-cyano-4-(3,5-dimethyl-4-isoxazolyl)-3-phenylbutanoate
Wiley ID 1550011