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4-Phenethyl-3-thio-1-(p-tolylsulfonyl)semicarbazide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

4-Phenethyl-3-thio-1-(p-tolylsulfonyl)semicarbazide
SpectraBase Compound ID GADiTa91m09
InChI InChI=1S/C16H19N3O2S2/c1-13-7-9-15(10-8-13)23(20,21)19-18-16(22)17-12-11-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H2,17,18,22)
InChIKey LMETZBPEKOJDIR-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C16H19N3O2S2
Exact Mass 349.091869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YD6IlTSw98
Name 4-Phenethyl-3-thio-1-(p-tolylsulfonyl)semicarbazide
Comments Computed using HOSE algorithm
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Exact Mass 349.091869210 u
Formula C16H19N3O2S2
InChI InChI=1S/C16H19N3O2S2/c1-13-7-9-15(10-8-13)23(20,21)19-18-16(22)17-12-11-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H2,17,18,22)
InChIKey LMETZBPEKOJDIR-UHFFFAOYSA-N
Molecular Weight 349.467 g/mol
SMILES N(CCC1=CC=CC=C1)C(NNS(=O)(=O)C=1C=CC(=CC1)C)=S