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3-(Methoxycarbonyl)-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyll-1,2,4,5-tetrazine
SpectraBase Compound ID TPu6IIoPio
InChI InChI=1S/C12H16N4O2/c1-12(11(17)18-3)14-13-10(16(2)15-12)9-7-5-4-6-8-9/h4-8,14-15H,1-3H3
InChIKey HQEYTCPJVSULFG-UHFFFAOYSA-N
Mol Weight 248.29 g/mol
Molecular Formula C12H16N4O2
Exact Mass 248.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zJekVED1jr
Name 3-(Methoxycarbonyl)-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyll-1,2,4,5-tetrazine
CAS Registry Number 137257-20-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H16N4O2
InChI InChI=1S/C12H16N4O2/c1-12(11(17)18-3)14-13-10(16(2)15-12)9-7-5-4-6-8-9/h4-8,14-15H,1-3H3
InChIKey HQEYTCPJVSULFG-UHFFFAOYSA-N
Molecular Weight 248.286 g/mol
SMILES N1C(NN=C(c2ccccc2)N1C)(C(=O)OC)C
SPLASH splash10-000i-0940000000-e45c35056930cdf8289c
Source of Spectrum U-1992-123-21
Synonyms methyl 1,3-dimethyl-6-phenyl-1,2,3,4-tetrahydro-1,2,4,5-tetraazine-3-carboxylate
Wiley ID 763785