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1,2,4,5-Tetrazine, 1,2,3,4-tetrahydro-2,6-diacetyl-4-(4-chlorophenyl)-1-methyl-3-(4-dimethylaminophenyl)-
SpectraBase Compound ID 6p1nkCFftb7
InChI InChI=1S/C21H24ClN5O2/c1-14(28)20-23-26(19-12-8-17(22)9-13-19)21(27(15(2)29)25(20)5)16-6-10-18(11-7-16)24(3)4/h6-13,21H,1-5H3
InChIKey FQLDEIRAZVVPFY-UHFFFAOYSA-N
Mol Weight 413.91 g/mol
Molecular Formula C21H24ClN5O2
Exact Mass 413.161853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fv9yFqMaBkX
Name 1,2,4,5-Tetrazine, 1,2,3,4-tetrahydro-2,6-diacetyl-4-(4-chlorophenyl)-1-methyl-3-(4-dimethylaminophenyl)-
Alternate Name(s) 1-(1-Acetyl-5-(4-chlorophenyl)-6-[4-(dimethylamino)phenyl]-2-methyl-1,2,5,6-tetrahydro-1,2,4,5-tetraazin-3-yl)ethanone 1-[2-acetyl-4-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-1-methyl-3H-1,2,4,5-tetrazin-6-yl]ethanone 1-[4-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-2-ethanoyl-1-methyl-3H-1,2,4,5-tetrazin-6-yl]ethanone
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Formula C21H24ClN5O2
InChI InChI=1S/C21H24ClN5O2/c1-14(28)20-23-26(19-12-8-17(22)9-13-19)21(27(15(2)29)25(20)5)16-6-10-18(11-7-16)24(3)4/h6-13,21H,1-5H3
InChIKey FQLDEIRAZVVPFY-UHFFFAOYSA-N
Molecular Weight 413.909 g/mol
SMILES CN(c1ccc(C2N(N=C(N(N2C(=O)C)C)C(=O)C)c2ccc(cc2)Cl)cc1)C
SPLASH splash10-0005-5901000000-50b007b9274414bb7d38
Source of Spectrum AD-0-2532-0
Wiley ID 1420146