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5-Anilino-3,6-diketo-2-[[keto(dimethyl)persulfuranylidene]amino]cyclohexa-1,4-diene-1-carboxylic acid methyl ester
SpectraBase Compound ID 8buM5voM7Cf
InChI InChI=1S/C16H16N2O5S/c1-23-16(21)13-14(18-24(2,3)22)12(19)9-11(15(13)20)17-10-7-5-4-6-8-10/h4-9,17H,1-3H3
InChIKey HCAMKVHNRDDJFU-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wWPhVRI6yM
Name 5-Anilino-3,6-diketo-2-[[keto(dimethyl)persulfuranylidene]amino]cyclohexa-1,4-diene-1-carboxylic acid methyl ester
Alternate Name(s) 5-Anilino-2-[[dimethyl(oxo)-$l^{6}-sulfanylidene]amino]-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester Methyl 5-anilino-2-[[dimethyl(oxo)-$l^{6}-sulfanylidene]amino]-3,6-dioxocyclohexa-1,4-diene-1-carboxylate Methyl 5-anilino-2-[[dimethyl(oxo)-$l^{6}-sulfanylidene]amino]-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate
CAS Registry Number 99336-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-23-16(21)13-14(18-24(2,3)22)12(19)9-11(15(13)20)17-10-7-5-4-6-8-10/h4-9,17H,1-3H3
InChIKey HCAMKVHNRDDJFU-UHFFFAOYSA-N
Molecular Weight 348.373 g/mol
SMILES N(C1=CC(C(=C(C1=O)C(=O)OC)N=S(=O)(C)C)=O)c1ccccc1
SPLASH splash10-0006-0904000000-7101809d02be097a8d0b
Source of Spectrum Y-22-702-2
Wiley ID 1340381