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1,2,4-Triazin-5(4H)-one, 4,4'-[[1,3-bis(3-methoxyphenyl)-1,3-diazetidine-2,4-diylidene]dinitrilo]bis[6-methyl-3-(methylthio)-, (Z)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,2,4-Triazin-5(4H)-one, 4,4'-[[1,3-bis(3-methoxyphenyl)-1,3-diazetidine-2,4-diylidene]dinitrilo]bis[6-methyl-3-(methylthio)-, (Z)-
SpectraBase Compound ID 9dbCy6hDbYI
InChI InChI=1S/C26H26N10O4S2/c1-15-21(37)35(25(41-5)29-27-15)31-23-33(17-9-7-11-19(13-17)39-3)24(34(23)18-10-8-12-20(14-18)40-4)32-36-22(38)16(2)28-30-26(36)42-6/h7-14H,1-6H3/b31-23-,32-24-
InChIKey CYXNXZHJJIUATG-PUHRYQSPSA-N
Mol Weight 606.68 g/mol
Molecular Formula C26H26N10O4S2
Exact Mass 606.157992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDLqgsdQxdV
Name 1,3-Bis(3-methoxy-phenyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H26N10O4S2
InChI InChI=1S/C26H26N10O4S2/c1-15-21(37)35(25(41-5)29-27-15)31-23-33(17-9-7-11-19(13-17)39-3)24(34(23)18-10-8-12-20(14-18)40-4)32-36-22(38)16(2)28-30-26(36)42-6/h7-14H,1-6H3/b31-23-,32-24-
InChIKey CYXNXZHJJIUATG-PUHRYQSPSA-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