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3-Pyrroline-2-carboxylic acid, 2-methyl-5-oxo-1-phenyl-4-thiosemicarbazido-, ethyl ester
SpectraBase Compound ID 34jkFpI3bbx
InChI InChI=1S/C15H18N4O3S/c1-3-22-13(21)15(2)9-11(17-18-14(16)23)12(20)19(15)10-7-5-4-6-8-10/h4-9,17H,3H2,1-2H3,(H3,16,18,23)
InChIKey ZSVMWUSCRBPXCE-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C15H18N4O3S
Exact Mass 334.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rtKDz0WTr4
Name 3-Pyrroline-2-carboxylic acid, 2-methyl-5-oxo-1-phenyl-4-thiosemicarbazido-, ethyl ester
Alternate Name(s) 4-(carbamothioylhydrazo)-2-methyl-5-oxo-1-phenyl-2-pyrrolecarboxylic acid ethyl ester 5-keto-2-methyl-1-phenyl-4-(N'-thiocarbamoylhydrazino)-3-pyrroline-2-carboxylic acid ethyl ester Ethyl 4-(2-carbamothioylhydrazino)-2-methyl-5-oxo-1-phenyl-pyrrole-2-carboxylate Ethyl 4-(2-carbamothioylhydrazinyl)-2-methyl-5-oxidanylidene-1-phenyl-pyrrole-2-carboxylate Ethyl 4-(2-carbamothioylhydrazinyl)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate Ethyl 4-[2-(aminocarbothioyl)hydrazino]-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
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Formula C15H18N4O3S
InChI InChI=1S/C15H18N4O3S/c1-3-22-13(21)15(2)9-11(17-18-14(16)23)12(20)19(15)10-7-5-4-6-8-10/h4-9,17H,3H2,1-2H3,(H3,16,18,23)
InChIKey ZSVMWUSCRBPXCE-UHFFFAOYSA-N
Molecular Weight 334.394 g/mol
SMILES N(C1=CC(N(C1=O)c1ccccc1)(C(=O)OCC)C)NC(=S)N
SPLASH splash10-00ou-9610000000-d789ed28392a65031a67
Wiley ID 1439657