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2-N-(5-phenyl-3-oxo-1-cyclohexenyl)-amino-3-cyano-4-pheny-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-benzopyran
SpectraBase Compound ID 3B5ttcFhQ7e
InChI InChI=1S/C30H28N2O3/c1-30(2)16-25(34)28-26(17-30)35-29(24(18-31)27(28)20-11-7-4-8-12-20)32-22-13-21(14-23(33)15-22)19-9-5-3-6-10-19/h3-12,15,21,27,32H,13-14,16-17H2,1-2H3
InChIKey XNGPPIZIVYAANK-UHFFFAOYSA-N
Mol Weight 464.57 g/mol
Molecular Formula C30H28N2O3
Exact Mass 464.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HzUqbmfsST
Name 2-N-(5-phenyl-3-oxo-1-cyclohexenyl)-amino-3-cyano-4-pheny-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-benzopyran
Alternate Name(s) 7,7-dimethyl-5-oxo-2-[(3-oxo-5-phenyl-1-cyclohexenyl)amino]-4-phenyl-6,8-dihydro-4H-1-benzopyran-3-carbonitrile 7,7-dimethyl-5-oxo-2-[(3-oxo-5-phenylcyclohexen-1-yl)amino]-4-phenyl-6,8-dihydro-4H-chromene-3-carbonitrile 7,7-dimethyl-5-oxo-2-[(3-oxo-5-phenyl-cyclohexen-1-yl)amino]-4-phenyl-6,8-dihydro-4H-chromene-3-carbonitrile 7,7-dimethyl-5-oxidanylidene-2-[(3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]-4-phenyl-6,8-dihydro-4H-chromene-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C30H28N2O3
InChI InChI=1S/C30H28N2O3/c1-30(2)16-25(34)28-26(17-30)35-29(24(18-31)27(28)20-11-7-4-8-12-20)32-22-13-21(14-23(33)15-22)19-9-5-3-6-10-19/h3-12,15,21,27,32H,13-14,16-17H2,1-2H3
InChIKey XNGPPIZIVYAANK-UHFFFAOYSA-N
Molecular Weight 464.565 g/mol
SMILES N(C1=CC(=O)CC(C1)c1ccccc1)C1=C(C(C2=C(CC(CC2=O)(C)C)O1)c1ccccc1)C#N
SPLASH splash10-014i-0000900000-0b1381fb03db5c0034f6
Source of Spectrum Y-47-1338-3a
Wiley ID 1667516