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3-[(Ethoxycarbonyl)methyl]-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyl-1,2,4,5-tetrazine
SpectraBase Compound ID 2IGP6qEZxAE
InChI InChI=1S/C14H20N4O2/c1-4-20-12(19)10-14(2)16-15-13(18(3)17-14)11-8-6-5-7-9-11/h5-9,16-17H,4,10H2,1-3H3
InChIKey PFVZRCKTGSEZGF-UHFFFAOYSA-N
Mol Weight 276.34 g/mol
Molecular Formula C14H20N4O2
Exact Mass 276.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uv6aNNvIT6
Name 3-[(Ethoxycarbonyl)methyl]-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyl-1,2,4,5-tetrazine
Alternate Name(s) ethyl (1,3-dimethyl-6-phenyl-1,2,3,4-tetrahydro-1,2,4,5-tetraazin-3-yl)acetate
CAS Registry Number 137257-24-0
Comments Less than 3 mono-isotopic peaks
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Formula C14H20N4O2
InChI InChI=1S/C14H20N4O2/c1-4-20-12(19)10-14(2)16-15-13(18(3)17-14)11-8-6-5-7-9-11/h5-9,16-17H,4,10H2,1-3H3
InChIKey PFVZRCKTGSEZGF-UHFFFAOYSA-N
Molecular Weight 276.340 g/mol
SMILES N1C(NN=C(N1C)c1ccccc1)(C)CC(=O)OCC
SPLASH splash10-000i-0930000000-9a18ac5e9a28208fe34d
Source of Spectrum U-1992-123-21
Wiley ID 763781