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(rs*,R*)-3-Hydroxy-1-phenyl-3-[1-[(2,4,6-triisopropylphenyl)sulfinyl]-2-naphthyl]-1-propanone
SpectraBase Compound ID 23L7CoxnqOW
InChI InChI=1S/C34H38O3S/c1-21(2)26-18-29(22(3)4)34(30(19-26)23(5)6)38(37)33-27-15-11-10-12-24(27)16-17-28(33)32(36)20-31(35)25-13-8-7-9-14-25/h7-19,21-23,32,36H,20H2,1-6H3
InChIKey BZDCPZOTOGLNIV-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C34H38O3S
Exact Mass 526.254166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fj9TuURmm
Name (rs*,R*)-3-Hydroxy-1-phenyl-3-[1-[(2,4,6-triisopropylphenyl)sulfinyl]-2-naphthyl]-1-propanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.254166255 u
Formula C34H38O3S
InChI InChI=1S/C34H38O3S/c1-21(2)26-18-29(22(3)4)34(30(19-26)23(5)6)38(37)33-27-15-11-10-12-24(27)16-17-28(33)32(36)20-31(35)25-13-8-7-9-14-25/h7-19,21-23,32,36H,20H2,1-6H3
InChIKey BZDCPZOTOGLNIV-UHFFFAOYSA-N
Molecular Weight 526.735 g/mol
SMILES C1(S(C2=C(C(CC(=O)C=3C=CC=CC3)O)C=CC3=C2C=CC=C3)=O)=C(C=C(C=C1C(C)C)C(C)C)C(C)C