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(1R*,2S*,3S*,1'R*) 1-(1-Hydroxyethyl)-2-(phenylsulfonyl)-3-n-butylcyclopropane
SpectraBase Compound ID BaKlEuWor8s
InChI InChI=1S/C15H22O3S/c1-3-4-10-13-14(11(2)16)15(13)19(17,18)12-8-6-5-7-9-12/h5-9,11,13-16H,3-4,10H2,1-2H3/t11-,13+,14-,15-/m1/s1
InChIKey SRDHZEADBUNFMW-FAAHXZRKSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LGo3t65KEN
Name (1R*,2S*,3S*,1'R*) 1-(1-Hydroxyethyl)-2-(phenylsulfonyl)-3-n-butylcyclopropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3S
InChI InChI=1S/C15H22O3S/c1-3-4-10-13-14(11(2)16)15(13)19(17,18)12-8-6-5-7-9-12/h5-9,11,13-16H,3-4,10H2,1-2H3/t11-,13+,14-,15-/m1/s1
InChIKey SRDHZEADBUNFMW-FAAHXZRKSA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 282.398 g/mol
SMILES O[C@@]([C@]1([C@@]([C@]1(CCCC)[H])(S(=O)(=O)c1ccccc1)[H])[H])(C)[H]
SPLASH splash10-05i0-9340000000-1037fff46540f949ba27
Source of Spectrum J-78-12436-12c
Synonyms (1R*,2R*,3S*,1'R*) 1-(1-Hydroxyethyl)-2-(phenylsulfonyl)-3-n-butyl cyclopropane (R)-1-((1S,2S,3R)-2-butyl-3-(phenylsulfonyl)cyclopropyl)ethanol (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-butylcyclopropyl]ethanol (1R)-1-[(1S,2R,3S)-2-(benzenesulfonyl)-3-butyl-cyclopropyl]ethanol (1R)-1-[(1S,2S,3R)-2-butyl-3-(phenylsulfonyl)cyclopropyl]ethanol
Wiley ID 1747340