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(1R,2R)-2-methyl-1-(4-phenylsulfanyltetrahydrothiopyran-4-yl)propane-1,3-diol
SpectraBase Compound ID 7BTGz43xmxY
InChI InChI=1S/C15H22O2S2/c1-12(11-16)14(17)15(7-9-18-10-8-15)19-13-5-3-2-4-6-13/h2-6,12,14,16-17H,7-11H2,1H3/t12-,14-/m1/s1
InChIKey DFCJFXXWHKRRGV-TZMCWYRMSA-N
Mol Weight 298.46 g/mol
Molecular Formula C15H22O2S2
Exact Mass 298.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhgWMdNYJMw
Name (1R,2R)-2-methyl-1-(4-phenylsulfanyltetrahydrothiopyran-4-yl)propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2S2
InChI InChI=1S/C15H22O2S2/c1-12(11-16)14(17)15(7-9-18-10-8-15)19-13-5-3-2-4-6-13/h2-6,12,14,16-17H,7-11H2,1H3/t12-,14-/m1/s1
InChIKey DFCJFXXWHKRRGV-TZMCWYRMSA-N
Molecular Weight 298.459 g/mol
SMILES OC[C@]([C@](C1(Sc2ccccc2)CCSCC1)(O)[H])(C)[H]
SPLASH splash10-0bt9-0590000000-3e33aa64a213f8682ad9
Source of Spectrum KC-0-1908-23
Synonyms (1R,2R)-2-methyl-1-(4-phenylsulfanylthian-4-yl)propane-1,3-diol (1R,2R)-2-methyl-1-[4-(phenylthio)-4-thianyl]propane-1,3-diol (1R,2R)-2-methyl-1-[4-(phenylthio)tetrahydrothiopyran-4-yl]propane-1,3-diol
Wiley ID 831153