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5-anilino-2-(diethylsulfuranylideneamino)-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid methyl ester
SpectraBase Compound ID KJUoUOmlQ5q
InChI InChI=1S/C18H20N2O4S/c1-4-25(5-2)20-16-14(21)11-13(17(22)15(16)18(23)24-3)19-12-9-7-6-8-10-12/h6-11,19H,4-5H2,1-3H3
InChIKey VOVDWEXEBUQENA-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C18H20N2O4S
Exact Mass 360.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zcsjb92dPy
Name 5-anilino-2-(diethylsulfuranylideneamino)-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid methyl ester
CAS Registry Number 101151-16-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O4S
InChI InChI=1S/C18H20N2O4S/c1-4-25(5-2)20-16-14(21)11-13(17(22)15(16)18(23)24-3)19-12-9-7-6-8-10-12/h6-11,19H,4-5H2,1-3H3
InChIKey VOVDWEXEBUQENA-UHFFFAOYSA-N
Molecular Weight 360.428 g/mol
SMILES N(C1=CC(C(=C(C1=O)C(=O)OC)N=S(CC)CC)=O)c1ccccc1
SPLASH splash10-0006-0902000000-5a9c091f4bcbf4890da3
Source of Spectrum Y-22-703-8
Synonyms 5-anilino-2-[(diethyl-$l^{4}-sulfanylidene)amino]-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester methyl 5-anilino-2-[(diethyl-$l^{4}-sulfanylidene)amino]-3,6-dioxocyclohexa-1,4-diene-1-carboxylate methyl 5-anilino-2-[(diethyl-$l^{4}-sulfanylidene)amino]-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate
Wiley ID 1348199