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(2R,4R)-4-(1-phenylsulfanylcyclohexyl)butane-1,2,4-triol
SpectraBase Compound ID Iwp7wqqnumO
InChI InChI=1S/C16H24O3S/c17-12-13(18)11-15(19)16(9-5-2-6-10-16)20-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,17-19H,2,5-6,9-12H2/t13-,15-/m1/s1
InChIKey SOMKKJOQXMOVBB-UKRRQHHQSA-N
Mol Weight 296.42 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0sHOSqCB2B
Name (2R,4R)-4-(1-phenylsulfanylcyclohexyl)butane-1,2,4-triol
Alternate Name(s) (2R,4R)-4-[1-(phenylthio)cyclohexyl]butane-1,2,4-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c17-12-13(18)11-15(19)16(9-5-2-6-10-16)20-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,17-19H,2,5-6,9-12H2/t13-,15-/m1/s1
InChIKey SOMKKJOQXMOVBB-UKRRQHHQSA-N
Molecular Weight 296.425 g/mol
SMILES O[C@@](CO)(C[C@](C1(Sc2ccccc2)CCCCC1)(O)[H])[H]
SPLASH splash10-00lu-0900000000-c5706674887c97d09a89
Source of Spectrum K-2002-2639-6
Wiley ID 1613267