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Thioallophanic acid, N-(p-toluoyl)-, S-methylester
SpectraBase Compound ID 9ugW2etbGh
InChI InChI=1S/C11H12N2O3S/c1-7-3-5-8(6-4-7)9(14)13(10(12)15)11(16)17-2/h3-6H,1-2H3,(H2,12,15)
InChIKey KTZNFBIWMPKZOI-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C11H12N2O3S
Exact Mass 252.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eIJJ0bcYfL
Name Thioallophanic acid, N-(p-toluoyl)-, S-methylester
Alternate Name(s) S-methyl aminocarbonyl(4-methylbenzoyl)thiocarbamate
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Formula C11H12N2O3S
InChI InChI=1S/C11H12N2O3S/c1-7-3-5-8(6-4-7)9(14)13(10(12)15)11(16)17-2/h3-6H,1-2H3,(H2,12,15)
InChIKey KTZNFBIWMPKZOI-UHFFFAOYSA-N
Molecular Weight 252.288 g/mol
SMILES NC(N(C(c1ccc(cc1)C)=O)C(=O)SC)=O
SPLASH splash10-014l-9620000000-2601345a86952a71aa9f
Source of Spectrum HE-1982-0-0
Wiley ID 1255095