Debug Info

object
{15}
_id
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K1KtmW5c6P0
spectrumID
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K1KtmW5c6P0
cost
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specType
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dbLocation
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analyticalTechnique
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MS (GC)
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compound
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1735074081058
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(1R*,2R*,3S*,1'R*) 1-(1-Hydroxyethyl)-2-(phenylsulfonyl)-3-phenylcyclopropane
SpectraBase Compound ID 6NW917aWsor
InChI InChI=1S/C17H18O3S/c1-12(18)15-16(13-8-4-2-5-9-13)17(15)21(19,20)14-10-6-3-7-11-14/h2-12,15-18H,1H3/t12-,15-,16+,17+/m1/s1
InChIKey GVWLILYCAOPFRZ-VZEFYGNVSA-N
Mol Weight 302.39 g/mol
Molecular Formula C17H18O3S
Exact Mass 302.097666 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1KtmW5c6P0
Name (1R*,2R*,3S*,1'R*) 1-(1-Hydroxyethyl)-2-(phenylsulfonyl)-3-phenylcyclopropane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3S
InChI InChI=1S/C17H18O3S/c1-12(18)15-16(13-8-4-2-5-9-13)17(15)21(19,20)14-10-6-3-7-11-14/h2-12,15-18H,1H3/t12-,15-,16+,17+/m1/s1
InChIKey GVWLILYCAOPFRZ-VZEFYGNVSA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 302.388 g/mol
SMILES O[C@@]([C@]1([C@@]([C@]1(c1ccccc1)[H])(S(=O)(c1ccccc1)=O)[H])[H])(C)[H]
SPLASH splash10-03xu-2900000000-56efa2c33041cfb02a96
Source of Spectrum J-78-12436-12e
Synonyms (R)-1-((1S,2R,3R)-2-phenyl-3-(phenylsulfonyl)cyclopropyl)ethanol (1R)-1-[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]ethanol (1R)-1-[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenyl-cyclopropyl]ethanol (1R)-1-[(1S,2R,3R)-2-phenyl-3-(phenylsulfonyl)cyclopropyl]ethanol
Wiley ID 1747341
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