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1,1-Dimethyl-3-(alpha-(phenylimino)benzyl)-thiourea
SpectraBase Compound ID 8eFtTfch2e2
InChI InChI=1S/C16H17N3S/c1-19(2)16(20)18-15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,17,18,20)
InChIKey LFXYOOXQXCNIDM-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C16H17N3S
Exact Mass 283.114319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57qoqNGP3W3
Name 1,1-Dimethyl-3-(alpha-(phenylimino)benzyl)-thiourea
Comments Computed using HOSE algorithm
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Exact Mass 283.114318733 u
Formula C16H17N3S
InChI InChI=1S/C16H17N3S/c1-19(2)16(20)18-15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,17,18,20)
InChIKey LFXYOOXQXCNIDM-UHFFFAOYSA-N
Molecular Weight 283.393 g/mol
SMILES C1(\N=C/(C2=CC=CC=C2)NC(N(C)C)=S)=CC=CC=C1