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1,3-bis(benzyl)-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea
SpectraBase Compound ID 3SyHiHeo6KO
InChI InChI=1S/C20H23N3S2/c24-19(22-15-17-9-3-1-4-10-17)23(16-18-11-5-2-6-12-18)20-21-13-7-8-14-25-20/h1-6,9-12H,7-8,13-16H2,(H,22,24)
InChIKey OIUIJUKIILQGNS-UHFFFAOYSA-N
Mol Weight 369.55 g/mol
Molecular Formula C20H23N3S2
Exact Mass 369.13334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEPPMVQUkYc
Name 1,3-bis(benzyl)-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)thiourea
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23N3S2
InChI InChI=1S/C20H23N3S2/c24-19(22-15-17-9-3-1-4-10-17)23(16-18-11-5-2-6-12-18)20-21-13-7-8-14-25-20/h1-6,9-12H,7-8,13-16H2,(H,22,24)
InChIKey OIUIJUKIILQGNS-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 369.543 g/mol
Solvent CDCl3
Source File Reference UWMZ10830