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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 G6A2or5ZOhx
Name 2-(3,4-DIMETHYL-A-THIOSEMICARBAZONOBENZYL)BENZOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 327.1038
SMILES N(C(=S)N)\N=C\(c1c(C(O)=O)cccc1)c1ccc(C)c(C)c1
SPLASH splash10-03di-9300000000-0c48cfbd52db0614ebc5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany