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Thioallophanic acid, N-(p-chlorophthaloyl)-, S-methyl ester
SpectraBase Compound ID FpRXLfksC5H
InChI InChI=1S/C11H9ClN2O4S/c1-19-11(18)14-10(17)13-9(16)7-4-2-6(3-5-7)8(12)15/h2-5H,1H3,(H2,13,14,16,17,18)
InChIKey OJBVICLAAKOOBY-UHFFFAOYSA-N
Mol Weight 300.72 g/mol
Molecular Formula C11H9ClN2O4S
Exact Mass 299.997156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iwfjv2TSbxX
Name Thioallophanic acid, N-(p-chlorophthaloyl)-, S-methyl ester
Alternate Name(s) N-[(4-chlorocarbonylbenzoyl)carbamoyl]thiocarbamic acid S-methyl ester N-[[[(4-carbonochloridoylphenyl)-oxomethyl]amino]-oxomethyl]carbamothioic acid S-methyl ester S-Methyl ([4-(chlorocarbonyl)benzoyl]amino)carbonylthiocarbamate S-methyl N-[(4-carbonochloridoylbenzoyl)carbamoyl]carbamothioate S-methyl N-[(4-carbonochloridoylphenyl)carbonylcarbamoyl]carbamothioate S-methyl N-[(4-chlorocarbonylbenzoyl)carbamoyl]carbamothioate
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Formula C11H9ClN2O4S
InChI InChI=1S/C11H9ClN2O4S/c1-19-11(18)14-10(17)13-9(16)7-4-2-6(3-5-7)8(12)15/h2-5H,1H3,(H2,13,14,16,17,18)
InChIKey OJBVICLAAKOOBY-UHFFFAOYSA-N
Molecular Weight 300.716 g/mol
SMILES N(C(SC)=O)C(=O)NC(=O)c1ccc(cc1)C(=O)Cl
SPLASH splash10-0fk9-9820000000-737472586b0b2175aee2
Wiley ID 1501401