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2-([1,1'-Biphenyl]-3-yloxy)-1-cyclopropyl-1,2-diphenylethanol
SpectraBase Compound ID FbetF4cCNBV
InChI InChI=1S/C29H26O2/c30-29(26-19-20-26,25-16-8-3-9-17-25)28(23-13-6-2-7-14-23)31-27-18-10-15-24(21-27)22-11-4-1-5-12-22/h1-18,21,26,28,30H,19-20H2
InChIKey NVUPTYQFWXDWJZ-UHFFFAOYSA-N
Mol Weight 406.53 g/mol
Molecular Formula C29H26O2
Exact Mass 406.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuSge7ayByZ
Name 2-([1,1'-Biphenyl]-3-yloxy)-1-cyclopropyl-1,2-diphenylethanol
Appearance White foam
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Exact Mass 406.193280075 u
Formula C29H26O2
InChI InChI=1S/C29H26O2/c30-29(26-19-20-26,25-16-8-3-9-17-25)28(23-13-6-2-7-14-23)31-27-18-10-15-24(21-27)22-11-4-1-5-12-22/h1-18,21,26,28,30H,19-20H2
InChIKey NVUPTYQFWXDWJZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602254
Molecular Weight 406.525 g/mol
Quality 22
Reported Formula C29H26O2
SMILES OC(C(OC1=CC(=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)(C1CC1)C1=CC=CC=C1
SPLASH splash10-052b-0910000000-47192b00cb482a28a790
Sample Comments Major isomer, Mixture of diastereoisomers = (6:1)
Source of Spectrum QE-22-SM20-6la (DOI: 10.1002/chem.201602254)
Thin-Layer Chromatography 0.16 (hexane/EtOAc, 20:1)
Wiley ID 1905224