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N-Mesyl-6,8-dimethoxy-2-(2-methoxtycarbonylanilino)-p-bnaphthoquinone
SpectraBase Compound ID 2N1Hr2TRGIE
InChI InChI=1S/C21H19NO8S/c1-28-12-9-14-17(23)11-16(20(24)19(14)18(10-12)29-2)22(31(4,26)27)15-8-6-5-7-13(15)21(25)30-3/h5-11H,1-4H3
InChIKey TXIBNZNVDDTZOY-UHFFFAOYSA-N
Mol Weight 445.44 g/mol
Molecular Formula C21H19NO8S
Exact Mass 445.083138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1J6pgHe0ePU
Name N-Mesyl-6,8-dimethoxy-2-(2-methoxtycarbonylanilino)-p-bnaphthoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C21H19NO8S
InChI InChI=1S/C21H19NO8S/c1-28-12-9-14-17(23)11-16(20(24)19(14)18(10-12)29-2)22(31(4,26)27)15-8-6-5-7-13(15)21(25)30-3/h5-11H,1-4H3
InChIKey TXIBNZNVDDTZOY-UHFFFAOYSA-N
Molecular Weight 445.442 g/mol
SMILES C=1(N(S(=O)(=O)C)c2c(C(=O)OC)cccc2)C(c2c(cc(cc2C(C1)=O)OC)OC)=O
SPLASH splash10-014i-0009200000-e57d63cfd1693027a7fc
Source of Spectrum H1-36-217-5
Synonyms methyl 2-[(6,8-dimethoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)(methylsulfonyl)amino]benzoate N-Mesyl-6,8-dimethoxy-2-(2-methoxtycarbonylanilino)-p-naphthoquinone
Wiley ID 755506