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N-(p-toluoylcarbamoyl)thiocarbamic acid S-propyl ester
SpectraBase Compound ID 9nA1HHdOsy4
InChI InChI=1S/C13H16N2O3S/c1-3-8-19-13(18)15-12(17)14-11(16)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKey MNNKFSHHBXHCFD-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C13H16N2O3S
Exact Mass 280.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcLFTCXA29B
Name N-(p-toluoylcarbamoyl)thiocarbamic acid S-propyl ester
Alternate Name(s) N-[[[(4-methylphenyl)-oxomethyl]amino]-oxomethyl]carbamothioic acid S-propyl ester S-propyl N-[(4-methylbenzoyl)carbamoyl]carbamothioate S-propyl N-[(4-methylphenyl)carbonylcarbamoyl]carbamothioate Thioallophanic acid, N-(p-toluoyl)-, S-propyl ester
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Formula C13H16N2O3S
InChI InChI=1S/C13H16N2O3S/c1-3-8-19-13(18)15-12(17)14-11(16)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKey MNNKFSHHBXHCFD-UHFFFAOYSA-N
Molecular Weight 280.342 g/mol
SMILES N(C(c1ccc(cc1)C)=O)C(=O)NC(=O)SCCC
SPLASH splash10-014i-9720000000-1100c54751a2f60ae688
Source of Spectrum HE-1986-2304-0
Wiley ID 1283518