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Diethyl 2-Cyano-3-methyl-1-phenylbutylmalonitrile
SpectraBase Compound ID IRWeHfBij30
InChI InChI=1S/C19H25NO4/c1-5-23-18(21)17(19(22)24-6-2)16(15(12-20)13(3)4)14-10-8-7-9-11-14/h7-11,13,15-17H,5-6H2,1-4H3
InChIKey GKSJFQJLSSSERF-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZtXbqdjDUq
Name Diethyl 2-Cyano-3-methyl-1-phenylbutylmalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-5-23-18(21)17(19(22)24-6-2)16(15(12-20)13(3)4)14-10-8-7-9-11-14/h7-11,13,15-17H,5-6H2,1-4H3
InChIKey GKSJFQJLSSSERF-UHFFFAOYSA-N
Molecular Weight 331.412 g/mol
SMILES C(C(C(C#N)C(C)C)c1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-001r-0900000000-ffe43d666d5c07431c4f
Source of Spectrum J-58-596-20
Synonyms 2-(2-Cyano-3-methyl-1-phenyl-butyl)-malonic acid diethyl ester 2-(2-cyano-3-methyl-1-phenylbutyl)propanedioic acid diethyl ester Diethyl 2-(2-cyano-3-methyl-1-phenylbutyl)propanedioate Diethyl 2-(2-cyano-3-methyl-1-phenyl-butyl)propanedioate
Wiley ID 1328766