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(R)-5-benzoyl-4-(4-bromophenyl)-6-phenyl-3,4-dihydro-2H-pyran-2-one
SpectraBase Compound ID 6MmHhr1RrCa
InChI InChI=1S/C24H17BrO3/c25-19-13-11-16(12-14-19)20-15-21(26)28-24(18-9-5-2-6-10-18)22(20)23(27)17-7-3-1-4-8-17/h1-14,20H,15H2/t20-/m1/s1
InChIKey AYGGDURLKPBTSI-HXUWFJFHSA-N
Mol Weight 433.3 g/mol
Molecular Formula C24H17BrO3
Exact Mass 432.036107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nH18QqgY7k
Name (R)-5-Benzoyl-4-(4-bromophenyl)-6-phenyl-3,4-dihydro-2H-pyran-2-one
Comments Computed using HOSE algorithm
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Exact Mass 432.036107404 u
Formula C24H17BrO3
InChI InChI=1S/C24H17BrO3/c25-19-13-11-16(12-14-19)20-15-21(26)28-24(18-9-5-2-6-10-18)22(20)23(27)17-7-3-1-4-8-17/h1-14,20H,15H2/t20-/m1/s1
InChIKey AYGGDURLKPBTSI-HXUWFJFHSA-N
Molecular Weight 433.301 g/mol
SMILES C1C(=O)OC(C2=CC=CC=C2)=C(C(=O)C2=CC=CC=C2)[C@]1(C=1C=CC(=CC1)Br)[H]