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1,3-Bis(4-tolyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine

View entire compound with spectra: 1 NMR

1,3-Bis(4-tolyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine
SpectraBase Compound ID GGrP3GFtR6Y
InChI InChI=1S/C28H30N10O2S2/c1-17-7-11-21(12-8-17)15-35-25(33-37-23(39)19(3)29-31-27(37)41-5)36(16-22-13-9-18(2)10-14-22)26(35)34-38-24(40)20(4)30-32-28(38)42-6/h7-14H,15-16H2,1-6H3/b33-25-,34-26+
InChIKey BTQSMQONWAQWDJ-OEDDBACWSA-N
Mol Weight 602.74 g/mol
Molecular Formula C28H30N10O2S2
Exact Mass 602.199463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Rwy8sDWm0
Name 1,3-Bis(4-tolyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine
Comments CDCL3/CF3COOH SOLUTION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H30N10O2S2
InChI InChI=1S/C28H30N10O2S2/c1-17-7-11-21(12-8-17)15-35-25(33-37-23(39)19(3)29-31-27(37)41-5)36(16-22-13-9-18(2)10-14-22)26(35)34-38-24(40)20(4)30-32-28(38)42-6/h7-14H,15-16H2,1-6H3/b33-25-,34-26+
InChIKey BTQSMQONWAQWDJ-OEDDBACWSA-N
Instrument Name Bruker AC-200
Literature Reference P. Molina, M. Alajarin, C. Lopez-Leonardo, J. Chem. Soc. Perkin I 199 (1992).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany