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1-(4,6-Dimethyl-2-pyridiyl)-2-{N,N-bis[2-(3,5-dinitrobenzyl)-5-methylamino-1,2,4-trazol-3-yl]}amionopropene
SpectraBase Compound ID 3msofGKdZ55
InChI InChI=1S/C30H30N14O8/c1-17-6-18(2)33-22(7-17)8-19(3)40(29-34-27(31-4)36-38(29)15-20-9-23(41(45)46)13-24(10-20)42(47)48)30-35-28(32-5)37-39(30)16-21-11-25(43(49)50)14-26(12-21)44(51)52/h6-14H,15-16H2,1-5H3,(H,31,36)(H,32,37)/b19-8+
InChIKey WGRLTYMQUIRGKU-UFWORHAWSA-N
Mol Weight 714.66 g/mol
Molecular Formula C30H30N14O8
Exact Mass 714.237104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InkNUMa4s7N
Name 1-(4,6-Dimethyl-2-pyridiyl)-2-{N,N-bis[2-(3,5-dinitrobenzyl)-5-methylamino-1,2,4-trazol-3-yl]}amionopropene
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Formula C30H30N14O8
InChI InChI=1S/C30H30N14O8/c1-17-6-18(2)33-22(7-17)8-19(3)40(29-34-27(31-4)36-38(29)15-20-9-23(41(45)46)13-24(10-20)42(47)48)30-35-28(32-5)37-39(30)16-21-11-25(43(49)50)14-26(12-21)44(51)52/h6-14H,15-16H2,1-5H3,(H,31,36)(H,32,37)/b19-8+
InChIKey WGRLTYMQUIRGKU-UFWORHAWSA-N
Molecular Weight 714.660 g/mol
SMILES N(c1nc(N(c2nc(n[n]2Cc2cc(N(=O)=O)cc(N(=O)=O)c2)NC)\C(=C\c2nc(C)cc(c2)C)C)[n](n1)Cc1cc(N(=O)=O)cc(N(=O)=O)c1)C
SPLASH splash10-0002-0900102400-3e3fc64208bbecbd3b63
Source of Spectrum KC-1993-713-11
Synonyms 1-(4,6-Dimethyl-2-pyridiyl)-2-{N,N-bis[2-(3,5-dinitrobenzyl)-5-methylamino-1,2,4-trazol-3-yl]amino}propene N(5)-[(E)-2-(4,6-dimethyl-2-pyridinyl)-1-methylethenyl]-1-(3,5-dinitrobenzyl)-N(5)-[1-(3,5-dinitrobenzyl)-3-(methylamino)-1H-1,2,4-triazol-5-yl]-N(3)-methyl-1H-1,2,4-triazole-3,5-diamine N-[(E)-2-(4,6-dimethyl-2-pyridinyl)-1-methylethenyl]-N,N-bis[1-(3,5-dinitrobenzyl)-3-(methylamino)-1H-1,2,4-triazol-5-yl]amine
Wiley ID 779221