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[cis-2-(2-Phenyl-1,3-dioxan-4-yl)ethyl]p-toluenesulfonate
SpectraBase Compound ID 7FHdlYDWNKP
InChI InChI=1S/C19H22O5S/c1-14-7-10-18(25(20,21)22)16(13-14)8-9-17-11-12-23-19(24-17)15-5-3-2-4-6-15/h2-7,10,13,17,19H,8-9,11-12H2,1H3,(H,20,21,22)/t17-,19+/m1/s1
InChIKey HOROTPIERZPEAJ-MJGOQNOKSA-N
Mol Weight 362.44 g/mol
Molecular Formula C19H22O5S
Exact Mass 362.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55KRxtFpELf
Name [cis-2-(2-Phenyl-1,3-dioxan-4-yl)ethyl]p-toluenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5S
InChI InChI=1S/C19H22O5S/c1-14-7-10-18(25(20,21)22)16(13-14)8-9-17-11-12-23-19(24-17)15-5-3-2-4-6-15/h2-7,10,13,17,19H,8-9,11-12H2,1H3,(H,20,21,22)/t17-,19+/m1/s1
InChIKey HOROTPIERZPEAJ-MJGOQNOKSA-N
Literature Reference DOI 10.1002/ardp.201000365
Molecular Weight 362.440 g/mol
SMILES OS(c1ccc(cc1CC[C@]1(O[C@](OCC1)(c1ccccc1)[H])[H])C)(=O)=O
SPLASH splash10-0bt9-0908000000-d6495935abe2fc58b71b
Source of Spectrum APC-344-419-6
Synonyms 4-Methyl-2-(2-((2S,4R)-2-phenyl-1,3-dioxan-4-yl)ethyl)benzenesulfonic acid
Wiley ID 1769252