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1,3-Bis(4-Tolyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1,3-diazetidine
SpectraBase Compound ID 639Fjb73RMA
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
InChIKey BTQSMQONWAQWDJ-UHFFFAOYSA-N
Mol Weight 602.74 g/mol
Molecular Formula C28H30N10O2S2
Exact Mass 602.199463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmdiOkhr4TH
Name 1,3-Bis(4-Tolyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1,3-diazetidine
Alternate Name(s) 1,3-Bis(4-Tolyl-methyl)-2,4-bis[(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4yl)imino]-1,3-diazetidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
InChIKey BTQSMQONWAQWDJ-UHFFFAOYSA-N
Molecular Weight 602.736 g/mol
SMILES C1(N(Cc2ccc(cc2)C)C(N1Cc1ccc(cc1)C)=NN1C(C(C)=NN=C1SC)=O)=NN1C(C(C)=NN=C1SC)=O
SPLASH splash10-0a4i-5910000000-29ef786eb4e79aec1480
Source of Spectrum KC-0-209-10
Wiley ID 776018