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(1S,3R,4R)-3-(2-Chloro-5-pyridyl)-4-[(methylsulfonyl)oxy]cyclohexan-1-ol
SpectraBase Compound ID FO4Sp8BPVdD
InChI InChI=1S/C12H16ClNO4S/c1-19(16,17)18-11-4-3-9(15)6-10(11)8-2-5-12(13)14-7-8/h2,5,7,9-11,15H,3-4,6H2,1H3/t9-,10+,11+/m0/s1
InChIKey HJOGRLZFDJRKPO-HBNTYKKESA-N
Mol Weight 305.78 g/mol
Molecular Formula C12H16ClNO4S
Exact Mass 305.048857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBTtLemqwS1
Name (1S,3R,4R)-3-(2-Chloro-5-pyridyl)-4-[(methylsulfonyl)oxy]cyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16ClNO4S
InChI InChI=1S/C12H16ClNO4S/c1-19(16,17)18-11-4-3-9(15)6-10(11)8-2-5-12(13)14-7-8/h2,5,7,9-11,15H,3-4,6H2,1H3/t9-,10+,11+/m0/s1
InChIKey HJOGRLZFDJRKPO-HBNTYKKESA-N
Molecular Weight 305.776 g/mol
SMILES O[C@@]1(C[C@@]([C@@](CC1)(OS(=O)(=O)C)[H])(c1ccc(nc1)Cl)[H])[H]
SPLASH splash10-0006-0900000000-2dda8eec66f17b0f3aa4
Source of Spectrum K-2001-172-33
Synonyms (1R,2R,4S)-2-(6-chloro-3-pyridinyl)-4-hydroxycyclohexyl methanesulfonate
Wiley ID 1578375