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3,3'-Methylene-bis(1',2',3',4'-tetrahydro-1',3'-dimethyl-6'-phenyl-1',2',4',5'-tetrazine)
SpectraBase Compound ID IBVTc7ugsDI
InChI InChI=1S/C21H28N8/c1-14-22-24-20(28(3)26-14)18-9-5-7-16(12-18)11-17-8-6-10-19(13-17)21-25-23-15(2)27-29(21)4/h5-10,12-15,22-23,26-27H,11H2,1-4H3
InChIKey GKZOAQGSAXDZCQ-UHFFFAOYSA-N
Mol Weight 392.51 g/mol
Molecular Formula C21H28N8
Exact Mass 392.243693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vTAljSb4BL
Name 3,3'-Methylene-bis(1',2',3',4'-tetrahydro-1',3'-dimethyl-6'-phenyl-1',2',4',5'-tetrazine)
CAS Registry Number 137257-26-2
Comments Less than 3 mono-isotopic peaks
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Formula C21H28N8
InChI InChI=1S/C21H28N8/c1-14-22-24-20(28(3)26-14)18-9-5-7-16(12-18)11-17-8-6-10-19(13-17)21-25-23-15(2)27-29(21)4/h5-10,12-15,22-23,26-27H,11H2,1-4H3
InChIKey GKZOAQGSAXDZCQ-UHFFFAOYSA-N
Molecular Weight 392.511 g/mol
SMILES N1C(NN(C(c2cc(Cc3cc(C=4N(NC(C)NN4)C)ccc3)ccc2)=N1)C)C
SPLASH splash10-0a4i-9000000000-a64a4e98dfa944417112
Source of Spectrum U-1992-123-21
Synonyms 6-{3-[3-(2,6-dimethyl-1,2,5,6-tetrahydro-1,2,4,5-tetraazin-3-yl)benzyl]phenyl}-1,3-dimethyl-1,2,3,4-tetrahydro-1,2,4,5-tetraazine
Wiley ID 763779