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(1'R*,2'R*)-2'-(2-Hydroxypropan-2-yl)-5'-methyl-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,4-diol
SpectraBase Compound ID 5MccF3LAAda
InChI InChI=1S/C16H22O3/c1-10-4-7-14(16(2,3)19)13(8-10)12-6-5-11(17)9-15(12)18/h5-6,8-9,13-14,17-19H,4,7H2,1-3H3/t13-,14+/m0/s1
InChIKey UCAHPPNRUVYYCI-UONOGXRCSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCclyJlsDP0
Name (1'R*,2'R*)-2'-(2-Hydroxypropan-2-yl)-5'-methyl-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,4-diol
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-10-4-7-14(16(2,3)19)13(8-10)12-6-5-11(17)9-15(12)18/h5-6,8-9,13-14,17-19H,4,7H2,1-3H3/t13-,14+/m0/s1
InChIKey UCAHPPNRUVYYCI-UONOGXRCSA-N
Instrument Name Fisons VG70-SE or Thermo Finnigan MAT900xp
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.201900548
Molecular Weight 262.349 g/mol
SMILES Oc1ccc(c(c1)O)[C@]1([C@@](CCC(=C1)C)(C(C)(C)O)[H])[H]
SPLASH splash10-03di-0790000000-10aa68541767fb92cef4
Source of Spectrum CMC-15-SM22-22-1
Wiley ID 1839948