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(3S,Rs)-3-Benzyloxy-3,4-dihydro-3-hydroxymethyl-6-(p-toluenesulfinylmethyl)-2H-pyran
SpectraBase Compound ID 7KVnneVrn86
InChI InChI=1S/C21H24O4S/c1-17-7-9-20(10-8-17)26(23)14-19-11-12-21(15-22,16-24-19)25-13-18-5-3-2-4-6-18/h2-11,22H,12-16H2,1H3/t21-,26?/m0/s1
InChIKey QJDNXSCODGCAJE-GVNKFJBHSA-N
Mol Weight 372.48 g/mol
Molecular Formula C21H24O4S
Exact Mass 372.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATQXp6IP7FU
Name (3S,Rs)-3-Benzyloxy-3,4-dihydro-3-hydroxymethyl-6-(p-toluenesulfinylmethyl)-2H-pyran
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O4S
InChI InChI=1S/C21H24O4S/c1-17-7-9-20(10-8-17)26(23)14-19-11-12-21(15-22,16-24-19)25-13-18-5-3-2-4-6-18/h2-11,22H,12-16H2,1H3/t21-,26?/m0/s1
InChIKey QJDNXSCODGCAJE-GVNKFJBHSA-N
Molecular Weight 372.479 g/mol
SMILES OC[C@@]1(COC(=CC1)CS(=O)c1ccc(cc1)C)OCc1ccccc1
SPLASH splash10-0006-9000000000-9a24daec0011f87ed754
Source of Spectrum E1-46-220-9
Synonyms ((3S)-3-(benzyloxy)-6-{[(4-methylphenyl)sulfinyl]methyl}-3,4-dihydro-2H-pyran-3-yl)methanol
Wiley ID 1554169