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5,10-Etheno-1H-[1,2,4]triazolo[1,2-a][1,2]diazocine-1,3(2H)-dione, 5,6,9,10-tetrahydro-6-methyl-2-phenyl-
SpectraBase Compound ID GaSiaWdYgGh
InChI InChI=1S/C17H17N3O2/c1-12-6-5-9-14-10-11-15(12)20-17(22)18(16(21)19(14)20)13-7-3-2-4-8-13/h2-8,10-12,14-15H,9H2,1H3/b6-5-
InChIKey MBDFWTCBKTWABL-WAYWQWQTSA-N
Mol Weight 295.34 g/mol
Molecular Formula C17H17N3O2
Exact Mass 295.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J58szM2eklN
Name 5,10-Etheno-1H-[1,2,4]triazolo[1,2-a][1,2]diazocine-1,3(2H)-dione, 5,6,9,10-tetrahydro-6-methyl-2-phenyl-
CAS Registry Number 99141-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O2
InChI InChI=1S/C17H17N3O2/c1-12-6-5-9-14-10-11-15(12)20-17(22)18(16(21)19(14)20)13-7-3-2-4-8-13/h2-8,10-12,14-15H,9H2,1H3/b6-5-
InChIKey MBDFWTCBKTWABL-WAYWQWQTSA-N
Molecular Weight 295.342 g/mol
SMILES C1(N(C(N2C3C=CC(N12)C(\C=C/C3)C)=O)c1ccccc1)=O
SPLASH splash10-002r-8490000000-91a6526ed8d4786be6dc
Source of Spectrum K-118-3378-6
Synonyms 2-Methyl-N-phenyl-7,8-diazabicyclo[4.2.2]deca-3,9-diene-7,8-dicarboximide 8-Methyl-4-phenyl-2,4,6-triazatricyclo[5.4.2.0(2,6)]trideca-9,12-diene-3,5-dione
Wiley ID 1298250