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(2Z)-2-[4-carbomethoxy-5-(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylthio)-1,3-dithiole-4-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2Z)-2-[4-carbomethoxy-5-(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylthio)-1,3-dithiole-4-carboxylic acid methyl ester
SpectraBase Compound ID FfsFEfvDAht
InChI InChI=1S/C16H14N2O4S6/c1-21-11(19)9-13(23-7-3-5-17)27-15(25-9)16-26-10(12(20)22-2)14(28-16)24-8-4-6-18/h3-4,7-8H2,1-2H3/b16-15-
InChIKey BGPFUTPBCCXGSZ-NXVVXOECSA-N
Mol Weight 490.7 g/mol
Molecular Formula C16H14N2O4S6
Exact Mass 489.927784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhIQdKxlTks
Name (2Z)-2-[4-carbomethoxy-5-(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylthio)-1,3-dithiole-4-carboxylic acid methyl ester
Alternate Name(s) (2Z)-5-(2-cyanoethylthio)-2-[4-(2-cyanoethylthio)-5-methoxycarbonyl-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carboxylic acid methyl ester Methyl (2Z)-5-(2-cyanoethylsulfanyl)-2-[4-(2-cyanoethylsulfanyl)-5-methoxycarbonyl-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O4S6
InChI InChI=1S/C16H14N2O4S6/c1-21-11(19)9-13(23-7-3-5-17)27-15(25-9)16-26-10(12(20)22-2)14(28-16)24-8-4-6-18/h3-4,7-8H2,1-2H3/b16-15-
InChIKey BGPFUTPBCCXGSZ-NXVVXOECSA-N
Molecular Weight 490.658 g/mol
SMILES C=1(S\C(=C/2SC(C(=O)OC)=C(S2)SCCC#N)SC1SCCC#N)C(=O)OC
SPLASH splash10-000l-2050900000-80c4f852e495b3bc1198
Source of Spectrum J-62-4941-8
Wiley ID 1397136