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8-Methyl-8-phenyl-4,5-(1',3'-butadiene-1',4'-diyl)-5H,7H-1,2,4-triazolo[1,5-c]-(1,3)-oxazepin-6-one
SpectraBase Compound ID BgVw4yK4iar
InChI InChI=1S/C18H15N3O2/c1-12-19-16-14-10-6-7-11-15(14)17(22)23-18(2,21(16)20-12)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKey YNYJUZKMTCKMRA-UHFFFAOYSA-N
Mol Weight 305.34 g/mol
Molecular Formula C18H15N3O2
Exact Mass 305.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7hj8end21Z
Name 8-Methyl-8-phenyl-4,5-(1',3'-butadiene-1',4'-diyl)-5H,7H-1,2,4-triazolo[1,5-c]-(1,3)-oxazepin-6-one
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Formula C18H15N3O2
InChI InChI=1S/C18H15N3O2/c1-12-19-16-14-10-6-7-11-15(14)17(22)23-18(2,21(16)20-12)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKey YNYJUZKMTCKMRA-UHFFFAOYSA-N
Molecular Weight 305.337 g/mol
SMILES c-12[n](nc(n2)C)C(OC(c2c1cccc2)=O)(c1ccccc1)C
SPLASH splash10-000i-0900000000-daf01748b419e1235e6f
Source of Spectrum Y-39-1330-8
Synonyms 2,5-Dimethyl-5-phenyl-7H-[1,2,4]triazolo[1,5-d][2,4]benzoxazepin-7-one 9-Methyl-9-phenyl-4,5-(1',3'-butadiene-1',4'-diyl)-5H,7H-1,2,4-triazolo[1,5-c]-(1,3)-benzoxazepin-7-one
Wiley ID 1528745