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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ffkxne4NlhU
Name 1,3-Bis(4-Bromobenzyl)-2,4-bis[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-amino]-1,3-diazetidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 732.474 g/mol
SMILES C(N1\C(N(\C1=N\N1C(C(C)=NN=C1SC)=O)Cc1ccc(cc1)Br)=N/N1C(C(C)=NN=C1SC)=O)c1ccc(cc1)Br
SPLASH splash10-01b9-4900000000-64b059ee5e3f464178b2
Source of Spectrum KC-0-209-10
Synonyms 1,3-Bis(4-Bromobenzyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1,3-diazetidine 1,3-Bis(4-Bromobenzyl)-2,4-bis[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4ylidene)-amino]-1,3-diazetidine 4-({1,3-bis(4-bromobenzyl)-4-[(6-methyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl)imino]-1,3-diazetidin-2-ylidene}amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Wiley ID 776019