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N-Mesyl-6-methoxy-2-(6-methoxy-2-methoxtycarbonylanilino)-p-benzoquinone
SpectraBase Compound ID GHGeuqFm4Dh
InChI InChI=1S/C17H17NO8S/c1-24-13-7-5-6-11(17(21)26-3)15(13)18(27(4,22)23)12-8-10(19)9-14(25-2)16(12)20/h5-9H,1-4H3
InChIKey MMPHYAGGIHUOBG-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 5J5ZnhUue6d
Name N-Mesyl-6-methoxy-2-(6-methoxy-2-methoxtycarbonylanilino)-p-benzoquinone
Alternate Name(s) methyl 3-methoxy-2-[(5-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/c1-24-13-7-5-6-11(17(21)26-3)15(13)18(27(4,22)23)12-8-10(19)9-14(25-2)16(12)20/h5-9H,1-4H3
InChIKey MMPHYAGGIHUOBG-UHFFFAOYSA-N
Molecular Weight 395.382 g/mol
SMILES C=1(N(S(=O)(=O)C)c2c(C(=O)OC)cccc2OC)C(C(OC)=CC(C1)=O)=O
SPLASH splash10-014i-0009000000-276f8f0d8b3b8969b530
Source of Spectrum H1-36-2115-3
Wiley ID 755512