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N-Mesyl-5-methoxy-2-(6-methoxy-2-methoxtycarbonylanilino)-p-benzoquinone
SpectraBase Compound ID 7gfJ3MOCwjK
InChI InChI=1S/C17H17NO8S/c1-24-14-7-5-6-10(17(21)26-3)16(14)18(27(4,22)23)11-8-13(20)15(25-2)9-12(11)19/h5-9H,1-4H3
InChIKey LLCBNRMCVGFSNJ-UHFFFAOYSA-N
Mol Weight 395.38 g/mol
Molecular Formula C17H17NO8S
Exact Mass 395.067488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jh3hpV9K3zB
Name N-Mesyl-5-methoxy-2-(6-methoxy-2-methoxtycarbonylanilino)-p-benzoquinone
Alternate Name(s) methyl 3-methoxy-2-[(4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)(methylsulfonyl)amino]benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H17NO8S
InChI InChI=1S/C17H17NO8S/c1-24-14-7-5-6-10(17(21)26-3)16(14)18(27(4,22)23)11-8-13(20)15(25-2)9-12(11)19/h5-9H,1-4H3
InChIKey LLCBNRMCVGFSNJ-UHFFFAOYSA-N
Molecular Weight 395.382 g/mol
SMILES C1(N(S(=O)(=O)C)c2c(C(=O)OC)cccc2OC)=CC(=O)C(=CC1=O)OC
SPLASH splash10-004i-9000000000-d2bd2400d3594ff93da6
Source of Spectrum H1-36-2115-3
Wiley ID 755511