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(3R)-1-(2-Fluoro-5-methoxyphenyl)-3,7-dimethyl-1-(phenylsulfanyl)oct-6-en-3-ol
SpectraBase Compound ID C8fuBV48zU
InChI InChI=1S/C23H29FO2S/c1-17(2)9-8-14-23(3,25)16-22(27-19-10-6-5-7-11-19)20-15-18(26-4)12-13-21(20)24/h5-7,9-13,15,22,25H,8,14,16H2,1-4H3/t22?,23-/m1/s1
InChIKey VDSRRBNZRGSKMM-OZAIVSQSSA-N
Mol Weight 388.54 g/mol
Molecular Formula C23H29FO2S
Exact Mass 388.18723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPqpNGyBQx7
Name (3R)-1-(2-Fluoro-5-methoxyphenyl)-3,7-dimethyl-1-(phenylsulfanyl)oct-6-en-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29FO2S
InChI InChI=1S/C23H29FO2S/c1-17(2)9-8-14-23(3,25)16-22(27-19-10-6-5-7-11-19)20-15-18(26-4)12-13-21(20)24/h5-7,9-13,15,22,25H,8,14,16H2,1-4H3/t22?,23-/m1/s1
InChIKey VDSRRBNZRGSKMM-OZAIVSQSSA-N
Literature Reference DOI 10.1002/hlca.201200312
Molecular Weight 388.541 g/mol
SMILES O[C@@](CC(Sc1ccccc1)c1c(ccc(c1)OC)F)(CCC=C(C)C)C
SPLASH splash10-0pvi-4931000000-6dd7d5693778f578dee4
Source of Spectrum H-95-1950-14a
Synonyms (3R)-1-(2-fluoro-5-methoxyphenyl)-3,7-dimethyl-1-(phenylthio)oct-6-en-3-ol
Wiley ID 1784185