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piperonal, 4-phenethyl-3-thiosemicarbazone

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

piperonal, 4-phenethyl-3-thiosemicarbazone
SpectraBase Compound ID C8hl1q30ZNR
InChI InChI=1S/C17H17N3O2S/c23-17(18-9-8-13-4-2-1-3-5-13)20-19-11-14-6-7-15-16(10-14)22-12-21-15/h1-7,10-11H,8-9,12H2,(H2,18,20,23)/b19-11+
InChIKey GWGUZFYHVYTRTE-YBFXNURJSA-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 BNM8ncKQgad
Name N1-Phenethyl-2-(1,3-benzodioxol-5-ylmethylidene)hydrazine-1-carbothioamide
Alternate Name(s) 1,3-Benzodioxole-5-carbaldehyde N-(2-phenylethyl)thiosemicarbazone 1-Phenethyl-3-[(E)-piperonylideneamino]thiourea 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(2-phenylethyl)thiourea
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Formula C17H17N3O2S
InChI InChI=1S/C17H17N3O2S/c23-17(18-9-8-13-4-2-1-3-5-13)20-19-11-14-6-7-15-16(10-14)22-12-21-15/h1-7,10-11H,8-9,12H2,(H2,18,20,23)/b19-11+
InChIKey GWGUZFYHVYTRTE-YBFXNURJSA-N
Molecular Weight 327.402 g/mol
SMILES N(\N=C\c1cc2OCOc2cc1)C(=S)NCCc1ccccc1
SPLASH splash10-0f92-3900000000-3df1fc9d2b1dccac3018
Wiley ID 1447626