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3-methyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea
SpectraBase Compound ID IouznAVyMr9
InChI InChI=1S/C13H17N3S2/c1-14-12(17)16(11-7-3-2-4-8-11)13-15-9-5-6-10-18-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,14,17)
InChIKey VXFPGRVLGJFWTQ-UHFFFAOYSA-N
Mol Weight 279.42 g/mol
Molecular Formula C13H17N3S2
Exact Mass 279.08639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dr9FmoaGhtK
Name 3-methyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea
Compound Number 10
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Formula C13H17N3S2
InChI InChI=1S/C13H17N3S2/c1-14-12(17)16(11-7-3-2-4-8-11)13-15-9-5-6-10-18-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,14,17)
InChIKey VXFPGRVLGJFWTQ-UHFFFAOYSA-N
Literature Reference Author M.G.LEVKOVICH,N.D.ABDULLAEV,R.F.AMBARTSUMOVA
Literature Reference Citation CHEM.HET.COMP.,38,612(2002)
Literature Reference DOI 10.1023/a:1019577600569
Molecular Weight 279.418 g/mol
Solvent CDCl3
Source File Reference UWMZ10834