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(2S)-6-Methyl-1-fluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-ol
SpectraBase Compound ID GIWZaVzLBEl
InChI InChI=1S/C15H21FO2S/c1-11(2)4-9-15(14(17)10-16)19(18)13-7-5-12(3)6-8-13/h4-8,14-15,17H,9-10H2,1-3H3/t14-,15?,19?/m0/s1
InChIKey PGSYBCKCLQKHDW-XVTSOASTSA-N
Mol Weight 284.39 g/mol
Molecular Formula C15H21FO2S
Exact Mass 284.124629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUShhZSnQCi
Name (2S)-6-Methyl-1-fluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-ol
Alternate Name(s) (2S)-1-fluoro-6-methyl-3-[(4-methylphenyl)sulfinyl]-5-hepten-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21FO2S
InChI InChI=1S/C15H21FO2S/c1-11(2)4-9-15(14(17)10-16)19(18)13-7-5-12(3)6-8-13/h4-8,14-15,17H,9-10H2,1-3H3/t14-,15?,19?/m0/s1
InChIKey PGSYBCKCLQKHDW-XVTSOASTSA-N
Molecular Weight 284.389 g/mol
SMILES O[C@](C(S(c1ccc(cc1)C)=O)CC=C(C)C)(CF)[H]
SPLASH splash10-00mx-9630000000-34e206f85c159543f570
Source of Spectrum U1-1999-121-2
Wiley ID 752269