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6,7-Dihydro-6,6-dimethyl-2-phenyl-3-(5-nitropyridine-2-ylamino)benzofuran-4(5H)-one
SpectraBase Compound ID C1u72BrFZWp
InChI InChI=1S/C21H19N3O4/c1-21(2)10-15(25)18-16(11-21)28-20(13-6-4-3-5-7-13)19(18)23-17-9-8-14(12-22-17)24(26)27/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKey RFOOHZKLSZZVJC-UHFFFAOYSA-N
Mol Weight 377.4 g/mol
Molecular Formula C21H19N3O4
Exact Mass 377.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gkut2NTl6tE
Name 6,7-Dihydro-6,6-dimethyl-2-phenyl-3-(5-nitropyridine-2-ylamino)benzofuran-4(5H)-one
Appearance Yellow powder
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Formula C21H19N3O4
InChI InChI=1S/C21H19N3O4/c1-21(2)10-15(25)18-16(11-21)28-20(13-6-4-3-5-7-13)19(18)23-17-9-8-14(12-22-17)24(26)27/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKey RFOOHZKLSZZVJC-UHFFFAOYSA-N
Instrument Name HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2752
Molecular Weight 377.400 g/mol
SMILES N(c1c2C(CC(C)(Cc2oc1-c1ccccc1)C)=O)c1ncc(cc1)[N+](=O)[O-]
SPLASH splash10-0059-1169000000-974e8fcfc2eb36f81283
Source of Spectrum Y-54-1749-4f
Wiley ID 1878325