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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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWDmRSA9Rk6
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.209992767 u
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 C1(=C(OC2=C(C1C1=CC=CC=C1)C(CC(C)(C)C2)=O)NC1=CC(=O)CC(C1)C=1C=CC=CC1)C#N