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N-Mesyl-5,6-dimethoxy-2-(6-methoxy-2-methoxtycarbonylanilino)-p-benzoquinone
SpectraBase Compound ID 9mgZ5ujz8Ua
InChI InChI=1S/C18H19NO9S/c1-25-13-8-6-7-10(18(22)28-4)14(13)19(29(5,23)24)11-9-12(20)16(26-2)17(27-3)15(11)21/h6-9H,1-5H3
InChIKey AWDJIKBANCPVQY-UHFFFAOYSA-N
Mol Weight 425.41 g/mol
Molecular Formula C18H19NO9S
Exact Mass 425.078052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OecBCzd9yS
Name N-Mesyl-5,6-dimethoxy-2-(6-methoxy-2-methoxtycarbonylanilino)-p-benzoquinone
Alternate Name(s) methyl 2-[(4,5-dimethoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)(methylsulfonyl)amino]-3-methoxybenzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO9S
InChI InChI=1S/C18H19NO9S/c1-25-13-8-6-7-10(18(22)28-4)14(13)19(29(5,23)24)11-9-12(20)16(26-2)17(27-3)15(11)21/h6-9H,1-5H3
InChIKey AWDJIKBANCPVQY-UHFFFAOYSA-N
Molecular Weight 425.408 g/mol
SMILES C=1(N(S(=O)(=O)C)c2c(C(=O)OC)cccc2OC)C(C(OC)=C(C(C1)=O)OC)=O
SPLASH splash10-0udi-0090300000-27f76bbdcec051d0d682
Source of Spectrum H1-36-2116-3
Wiley ID 755510