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2-METHYL-5-METHYLMERCAPTO-3-DIMETHYLSULFOXYMETHINE-7-PHENYL-1,2,4-TRIAZEPINE
SpectraBase Compound ID EKOmzrK3nN8
InChI InChI=1S/C15H19N3OS2/c1-18-14(11-21(3,4)19)16-15(20-2)10-13(17-18)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey HUDCEWJQPZYYQD-UHFFFAOYSA-N
Mol Weight 321.46 g/mol
Molecular Formula C15H19N3OS2
Exact Mass 321.096955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5H1YYPRDKNP
Name 2-METHYL-5-METHYLMERCAPTO-3-DIMETHYLSULFOXYMETHINE-7-PHENYL-1,2,4-TRIAZEPINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19N3OS2
InChI InChI=1S/C15H19N3OS2/c1-18-14(11-21(3,4)19)16-15(20-2)10-13(17-18)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey HUDCEWJQPZYYQD-UHFFFAOYSA-N
Literature Reference Author M.Y.A.ITTO,A.HASNAOUI,A.RIAHI,A.HUET
Literature Reference Citation MOLECULES,5,M186(2000)
Literature Reference DOI 10.3390/m186
Molecular Weight 321.455 g/mol
Solvent CDCl3
Source File Reference UWVN7353