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Dimethyl 1-phenyl-4-dimethylamino-4-methylthio-butadiene-2,3-di-
SpectraBase Compound ID KQR3R2Dj1YW
InChI InChI=1S/C17H21NO4S/c1-18(2)15(23-5)14(17(20)22-4)13(16(19)21-3)11-12-9-7-6-8-10-12/h6-11H,1-5H3/b13-11-,15-14+
InChIKey KPUARRPINLCEIK-UNVBMEDASA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpYJ1YGxGtD
Name Butanedioic acid, [(dimethylamino)(methylthio)methylene](phenylmethylene)-, dimethyl ester
Alternate Name(s) Dimethyl (2Z,3E)-2-benzylidene-3-[(dimethylamino)(methylsulfanyl)methylene]butanedioate Dimethyl 1-phenyl-4-dimethylamino-4-methylthiobutadiene-2,3-dicarboxylate
CAS Registry Number 66598-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-18(2)15(23-5)14(17(20)22-4)13(16(19)21-3)11-12-9-7-6-8-10-12/h6-11H,1-5H3/b13-11-,15-14+
InChIKey KPUARRPINLCEIK-UNVBMEDASA-N
Molecular Weight 335.418 g/mol
SMILES C(\C(\C(=C\(N(C)C)SC)C(=O)OC)=C\c1ccccc1)(=O)OC
SPLASH splash10-00dr-0019000000-87573713b582cf78cacb
Source of Spectrum SB-32-147-0
Wiley ID 1331613