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anti-(1R,3S)-3-[(1S,4R)-2-Oxobornane-10-sulfenyl]-1-phenyl-1-hexanol
SpectraBase Compound ID LERb87bItTf
InChI InChI=1S/C22H32O2S/c1-4-8-18(14-19(23)16-9-6-5-7-10-16)25-15-22-12-11-17(13-20(22)24)21(22,2)3/h5-7,9-10,17-19,23H,4,8,11-15H2,1-3H3/t17-,18+,19-,22-/m1/s1
InChIKey IKVOSKSQNGVUHT-VQQMMKBISA-N
Mol Weight 360.6 g/mol
Molecular Formula C22H32O2S
Exact Mass 360.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1O3m9nwyIK
Name anti-(1R,3S)-3-[(1S,4R)-2-Oxobornane-10-sulfenyl]-1-phenyl-1-hexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2S
InChI InChI=1S/C22H32O2S/c1-4-8-18(14-19(23)16-9-6-5-7-10-16)25-15-22-12-11-17(13-20(22)24)21(22,2)3/h5-7,9-10,17-19,23H,4,8,11-15H2,1-3H3/t17-,18+,19-,22-/m1/s1
InChIKey IKVOSKSQNGVUHT-VQQMMKBISA-N
Molecular Weight 360.556 g/mol
SMILES O[C@](C[C@](CCC)(SC[C@]12C(C[C@@](CC2)(C1(C)C)[H])=O)[H])(c1ccccc1)[H]
SPLASH splash10-0arr-1900000000-5ed4d9465b9d6307d3d2
Source of Spectrum KD-15-900-4
Synonyms (1S,4R)-1-[({(1S)-1-[(2R)-2-hydroxy-2-phenylethyl]butyl}sulfanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Wiley ID 1636849