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2,4-Bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5,5-pentamethylene-1,3-diphenyl-biguanide

View entire compound with spectra: 1 NMR

2,4-Bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5,5-pentamethylene-1,3-diphenyl-biguanide
SpectraBase Compound ID JWPCm6BfXLQ
InChI InChI=1S/C29H33N11O2S2/c1-20-24(41)39(28(43-3)33-31-20)35-26(30-22-14-8-5-9-15-22)38(23-16-10-6-11-17-23)27(37-18-12-7-13-19-37)36-40-25(42)21(2)32-34-29(40)44-4/h5-6,8-11,14-17H,7,12-13,18-19H2,1-4H3,(H,30,35)/b36-27-
InChIKey OGCRMBSZVQUSMP-RLANJUCJSA-N
Mol Weight 631.8 g/mol
Molecular Formula C29H33N11O2S2
Exact Mass 631.226012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CsL7olm1YL
Name 2,4-Bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5,5-pentamethylene-1,3-diphenyl-biguanide
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H33N11O2S2
InChI InChI=1S/C29H33N11O2S2/c1-20-24(41)39(28(43-3)33-31-20)35-26(30-22-14-8-5-9-15-22)38(23-16-10-6-11-17-23)27(37-18-12-7-13-19-37)36-40-25(42)21(2)32-34-29(40)44-4/h5-6,8-11,14-17H,7,12-13,18-19H2,1-4H3,(H,30,35)/b36-27-
InChIKey OGCRMBSZVQUSMP-RLANJUCJSA-N
Literature Reference R.M. Claramunt, M.D. Foces-Foces, J. Chem. Soc. Perkin II 1859 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3