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3-Phenylmethyl-4-phenyl-8-oxo-4,5,6,7-tetrahydrocyclopenta[b]1,2,3-triazolo[4,5-e]pyridine
SpectraBase Compound ID GXWeri9DkNL
InChI InChI=1S/C21H18N4O/c26-20-17-12-7-13-18(17)25(16-10-5-2-6-11-16)21-19(20)22-23-24(21)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChIKey KARCGSDJRYGLKH-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C21H18N4O
Exact Mass 342.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qHp57Vvss1
Name 3-Phenylmethyl-4-phenyl-8-oxo-4,5,6,7-tetrahydrocyclopenta[b]1,2,3-triazolo[4,5-e]pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C21H18N4O
InChI InChI=1S/C21H18N4O/c26-20-17-12-7-13-18(17)25(16-10-5-2-6-11-16)21-19(20)22-23-24(21)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChIKey KARCGSDJRYGLKH-UHFFFAOYSA-N
Molecular Weight 342.402 g/mol
SMILES c12c(nn[n]2Cc2ccccc2)C(=O)C2=C(N1c1ccccc1)CCC2
SPLASH splash10-0006-0009000000-92ca33f14b8da9507ed0
Source of Spectrum Y-27-1139-8
Synonyms 3-benzyl-4-phenyl-4,5,6,7-tetrahydrocyclopenta[b][1,2,3]triazolo[4,5-e]pyridin-8(3H)-one
Wiley ID 1336772