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3-[(Acetyl)methyl]-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyl-1,2,4,5-tetrazine
SpectraBase Compound ID GZQkdqLxDP2
InChI InChI=1S/C13H18N4O/c1-10(18)9-13(2)15-14-12(17(3)16-13)11-7-5-4-6-8-11/h4-8,15-16H,9H2,1-3H3
InChIKey OQFQPWOPCKOHHN-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C13H18N4O
Exact Mass 246.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B6deKgPjY0
Name 3-[(Acetyl)methyl]-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyl-1,2,4,5-tetrazine
CAS Registry Number 137257-25-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H18N4O
InChI InChI=1S/C13H18N4O/c1-10(18)9-13(2)15-14-12(17(3)16-13)11-7-5-4-6-8-11/h4-8,15-16H,9H2,1-3H3
InChIKey OQFQPWOPCKOHHN-UHFFFAOYSA-N
Molecular Weight 246.314 g/mol
SMILES N1C(NN=C(N1C)c1ccccc1)(C)CC(=O)C
SPLASH splash10-000i-0910000000-3e51b627a8cfa0839f0c
Source of Spectrum U-1992-123-21
Synonyms 1-(1,3-dimethyl-6-phenyl-1,2,3,4-tetrahydro-1,2,4,5-tetraazin-3-yl)acetone
Wiley ID 763780