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3-Acetyl-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyl-1,2,4,5-tetrazine
SpectraBase Compound ID LfXzNjVNWs3
InChI InChI=1S/C12H16N4O/c1-9(17)12(2)14-13-11(16(3)15-12)10-7-5-4-6-8-10/h4-8,14-15H,1-3H3
InChIKey CVMBARJJYPVXEV-UHFFFAOYSA-N
Mol Weight 232.29 g/mol
Molecular Formula C12H16N4O
Exact Mass 232.132411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOXMJHjIy2x
Name 3-Acetyl-6-phenyl-1,2,3,4-tetrahydro-1,3-dimethyl-1,2,4,5-tetrazine
Alternate Name(s) 1-(1,3-dimethyl-6-phenyl-1,2,3,4-tetrahydro-1,2,4,5-tetraazin-3-yl)ethanone
CAS Registry Number 137257-23-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O
InChI InChI=1S/C12H16N4O/c1-9(17)12(2)14-13-11(16(3)15-12)10-7-5-4-6-8-10/h4-8,14-15H,1-3H3
InChIKey CVMBARJJYPVXEV-UHFFFAOYSA-N
Molecular Weight 232.287 g/mol
SMILES N1C(NN=C(N1C)c1ccccc1)(C)C(=O)C
SPLASH splash10-000i-0920000000-1508b37d95f98203a435
Source of Spectrum U-1992-123-21
Wiley ID 763782