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2-(3,4-Dimethyl-.alpha.-thiosemicarbazonobenzyl)benzoic acid
SpectraBase Compound ID 6PUX9bfyBcH
InChI InChI=1S/C17H17N3O2S/c1-10-7-8-12(9-11(10)2)15(19-20-17(18)23)13-5-3-4-6-14(13)16(21)22/h3-9H,1-2H3,(H,21,22)(H3,18,20,23)/b19-15+
InChIKey TUFVJZFDUVAAHY-XDJHFCHBSA-N
Mol Weight 327.4 g/mol
Molecular Formula C17H17N3O2S
Exact Mass 327.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIlaEa4b5gN
Name 2-(3,4-Dimethyl-.alpha.-thiosemicarbazonobenzyl)benzoic acid
Alternate Name(s) 2-[(E)-(carbamothioylhydrazinylidene)-(3,4-dimethylphenyl)methyl]benzoic acid 2-[(E)-C-(3,4-dimethylphenyl)-N-thioureido-carbonimidoyl]benzoic acid 2-[(E)-N-(carbamothioylamino)-C-(3,4-dimethylphenyl)carbonimidoyl]benzoic acid 2-[(E)-[(Aminocarbothioyl)hydrazono](3,4-dimethylphenyl)methyl]benzoic acid
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Formula C17H17N3O2S
InChI InChI=1S/C17H17N3O2S/c1-10-7-8-12(9-11(10)2)15(19-20-17(18)23)13-5-3-4-6-14(13)16(21)22/h3-9H,1-2H3,(H,21,22)(H3,18,20,23)/b19-15+
InChIKey TUFVJZFDUVAAHY-XDJHFCHBSA-N
Molecular Weight 327.402 g/mol
SMILES N(\N=C\(c1ccccc1C(=O)O)c1cc(c(cc1)C)C)C(N)=S
SPLASH splash10-03di-9300000000-221ae5d5d5b71578b2dc
Wiley ID 1469713