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(1R*,2S*)-1-Chloro-2-hydroxy-1-pentylundecyl phenyl sulfoxide
SpectraBase Compound ID FwkqYFFWqgA
InChI InChI=1S/C22H37ClO2S/c1-3-5-7-8-9-10-14-18-21(24)22(23,19-15-6-4-2)26(25)20-16-12-11-13-17-20/h11-13,16-17,21,24H,3-10,14-15,18-19H2,1-2H3/t21-,22-,26?/m1/s1
InChIKey JMNCSINJOTUXNV-CYTNGZNCSA-N
Mol Weight 401.0 g/mol
Molecular Formula C22H37ClO2S
Exact Mass 400.220279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hFniLlI7rA
Name (1R*,2S*)-1-Chloro-2-hydroxy-1-pentylundecyl phenyl sulfoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37ClO2S
InChI InChI=1S/C22H37ClO2S/c1-3-5-7-8-9-10-14-18-21(24)22(23,19-15-6-4-2)26(25)20-16-12-11-13-17-20/h11-13,16-17,21,24H,3-10,14-15,18-19H2,1-2H3/t21-,22-,26?/m1/s1
InChIKey JMNCSINJOTUXNV-CYTNGZNCSA-N
Molecular Weight 401.049 g/mol
SMILES O[C@@]([C@@](S(=O)c1ccccc1)(Cl)CCCCC)(CCCCCCCCC)[H]
SPLASH splash10-016r-0900000000-16a3404ad1b629926c96
Source of Spectrum E1-37-185-4
Synonyms (6S,7R)-6-chloro-6-(phenylsulfinyl)-7-hexadecanol
Wiley ID 1517485