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2-(benzenesulfonyl)-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester
SpectraBase Compound ID Kaf2Ao31Gx
InChI InChI=1S/C14H10O6S/c1-20-14(17)12-10(15)7-8-11(16)13(12)21(18,19)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey LJHQKUPLXRRRKV-UHFFFAOYSA-N
Mol Weight 306.29 g/mol
Molecular Formula C14H10O6S
Exact Mass 306.019809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3FotpWHyWq
Name 2-(benzenesulfonyl)-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester
Alternate Name(s) 2-besyl-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid methyl ester methyl 2-(benzenesulfonyl)-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate methyl 3,6-bis(oxidanylidene)-2-(phenylsulfonyl)cyclohexa-1,4-diene-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C14H10O6S
InChI InChI=1S/C14H10O6S/c1-20-14(17)12-10(15)7-8-11(16)13(12)21(18,19)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey LJHQKUPLXRRRKV-UHFFFAOYSA-N
Molecular Weight 306.288 g/mol
SMILES C1(C(=C(C(C=C1)=O)S(=O)(=O)c1ccccc1)C(=O)OC)=O
SPLASH splash10-001i-0903000000-85800eb9ce9b7532416c
Source of Spectrum KC-1992-2882-0
Wiley ID 777082