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6-Benzo[1,3]dioxol-5-yl-2-methyl-5-phenyl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 5wmPCMwwaAt
InChI InChI=1S/C19H20N4O4/c1-3-25-19(24)18-21-23(14-7-5-4-6-8-14)17(20-22(18)2)13-9-10-15-16(11-13)27-12-26-15/h4-11,17,20H,3,12H2,1-2H3
InChIKey KKTPGKPMSTUMBF-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C19H20N4O4
Exact Mass 368.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mricraAimY
Name 6-Benzo[1,3]dioxol-5-yl-2-methyl-5-phenyl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazine-3-carboxylic acid ethyl ester
Alternate Name(s) 6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,2,5,6-tetrahydro-1,2,4,5-tetraazine-3-carboxylate Ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate
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Formula C19H20N4O4
InChI InChI=1S/C19H20N4O4/c1-3-25-19(24)18-21-23(14-7-5-4-6-8-14)17(20-22(18)2)13-9-10-15-16(11-13)27-12-26-15/h4-11,17,20H,3,12H2,1-2H3
InChIKey KKTPGKPMSTUMBF-UHFFFAOYSA-N
Molecular Weight 368.393 g/mol
SMILES N1N(C(=NN(C1c1cc2OCOc2cc1)c1ccccc1)C(=O)OCC)C
SPLASH splash10-00mn-9721000000-7027daeb2126469a3ccc
Wiley ID 1437402