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5-Chloro-2-(N-mesyl-2-methoxycarbonylanilino)-1,4-benzoquinone
SpectraBase Compound ID 1eeNHfoNk82
InChI InChI=1S/C15H12ClNO6S/c1-23-15(20)9-5-3-4-6-11(9)17(24(2,21)22)12-8-13(18)10(16)7-14(12)19/h3-8H,1-2H3
InChIKey LLAUXCXLLDDJDB-UHFFFAOYSA-N
Mol Weight 369.78 g/mol
Molecular Formula C15H12ClNO6S
Exact Mass 369.007386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yk5D5yPtz9
Name 5-Chloro-2-(N-mesyl-2-methoxycarbonylanilino)-1,4-benzoquinone
Alternate Name(s) Methyl 2-[(4-chloro-3,6-dioxo-1,4-cyclohexadien-1-yl)(methylsulfonyl)amino]benzoate
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Formula C15H12ClNO6S
InChI InChI=1S/C15H12ClNO6S/c1-23-15(20)9-5-3-4-6-11(9)17(24(2,21)22)12-8-13(18)10(16)7-14(12)19/h3-8H,1-2H3
InChIKey LLAUXCXLLDDJDB-UHFFFAOYSA-N
Molecular Weight 369.775 g/mol
SMILES C1(C(=CC(C(=C1)Cl)=O)N(c1c(cccc1)C(=O)OC)S(=O)(=O)C)=O
SPLASH splash10-0006-0090000000-aeb576745c630b29cda7
Source of Spectrum SO-0-679-15
Wiley ID 1544212