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(2R,3R)-2-[[(4-METHYLPHENYL)-SULFINYL]-METHYL]-3-FLUORO-HEPT-6-EN-1,2-DIOL
SpectraBase Compound ID 1rOH6gl7F55
InChI InChI=1S/C15H21FO3S/c1-3-4-5-14(16)15(18,10-17)11-20(19)13-8-6-12(2)7-9-13/h3,6-9,14,17-18H,1,4-5,10-11H2,2H3/t14-,15+,20?/m1/s1
InChIKey RKUVRFDZYMNTIZ-FKTKBCEVSA-N
Mol Weight 300.39 g/mol
Molecular Formula C15H21FO3S
Exact Mass 300.119544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAGCqnWPTq9
Name (2R,3R)-3-fluoranyl-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hept-6-ene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21FO3S
InChI InChI=1S/C15H21FO3S/c1-3-4-5-14(16)15(18,10-17)11-20(19)13-8-6-12(2)7-9-13/h3,6-9,14,17-18H,1,4-5,10-11H2,2H3/t14-,15+,20?/m1/s1
InChIKey RKUVRFDZYMNTIZ-FKTKBCEVSA-N
Molecular Weight 300.388 g/mol
SMILES O[C@@](CO)(C[S@@](c1ccc(C)cc1)=O)[C@](F)(CCC=C)[H]
SPLASH splash10-0fsi-0093000000-c9564092cd79e597d5b0
Source of Spectrum J-66-8342-15
Synonyms (2R,3R)-3-fluoro-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]-6-heptene-1,2-diol (2R,3R)-3-fluoro-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hept-6-ene-1,2-diol (2R,3R)-3-fluoro-2-[[(S)-p-tolylsulfinyl]methyl]hept-6-ene-1,2-diol
Wiley ID 1568636