For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E,E)-Bis(4-bromobenzyl)-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 LvJBZS1GDRE
InChI InChI=1S/C26H24Br2N10O2S2/c1-15-21(39)37(25(41-3)31-29-15)33-23-35(13-17-5-9-19(27)10-6-17)24(36(23)14-18-7-11-20(28)12-8-18)34-38-22(40)16(2)30-32-26(38)42-4/h5-12H,13-14H2,1-4H3/b33-23-,34-24+
InChIKey UMQCEBGRGFXJAK-HUMGCQOQSA-N
Mol Weight 732.47 g/mol
Molecular Formula C26H24Br2N10O2S2
Exact Mass 729.989188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Hif8LPt33b
Name (Z,Z)-Bis(4-bromobenzyl)-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 C26H24Br2N10O2S2
InChI InChI=1S/C26H24Br2N10O2S2/c1-15-21(39)37(25(41-3)31-29-15)33-23-35(13-17-5-9-19(27)10-6-17)24(36(23)14-18-7-11-20(28)12-8-18)34-38-22(40)16(2)30-32-26(38)42-4/h5-12H,13-14H2,1-4H3/b33-23-,34-24+
InChIKey UMQCEBGRGFXJAK-HUMGCQOQSA-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