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2-Propenoic acid, 3-[2,2-dimethyl-6-methylene-3-[[(methylsulfonyl)oxy]methyl]cyclohexyl]-, [1.alpha.(E),3.alpha.]-(.+-.)-
SpectraBase Compound ID 8bWDI7k68ij
InChI InChI=1S/C14H22O5S/c1-10-5-6-11(9-19-20(4,17)18)14(2,3)12(10)7-8-13(15)16/h7-8,11-12H,1,5-6,9H2,2-4H3,(H,15,16)/b8-7+/t11-,12-/m0/s1
InChIKey XEJANOHEUDXDDL-BRQSLIGTSA-N
Mol Weight 302.38 g/mol
Molecular Formula C14H22O5S
Exact Mass 302.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnbjpLcEScK
Name 2-Propenoic acid, 3-[2,2-dimethyl-6-methylene-3-[[(methylsulfonyl)oxy]methyl]cyclohexyl]-, [1.alpha.(E),3.alpha.]-(.+-.)-
CAS Registry Number 121979-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O5S
InChI InChI=1S/C14H22O5S/c1-10-5-6-11(9-19-20(4,17)18)14(2,3)12(10)7-8-13(15)16/h7-8,11-12H,1,5-6,9H2,2-4H3,(H,15,16)/b8-7+/t11-,12-/m0/s1
InChIKey XEJANOHEUDXDDL-BRQSLIGTSA-N
Molecular Weight 302.385 g/mol
SMILES OC(\C=C\[C@@]1(C([C@](COS(=O)(=O)C)(CCC1=C)[H])(C)C)[H])=O
SPLASH splash10-0006-9400000000-8e236c34699919112b28
Source of Spectrum H-71-622-8
Synonyms (+-)-(2E)-3-{cis-2',2'-Dimethyl-6'-methylidene-3'-[(methanesulfonyl)oxy]cyclohex-1'-yl]-2-propenoic acid (2E)-3-((1S,3R)-2,2-dimethyl-6-methylene-3-{[(methylsulfonyl)oxy]methyl}cyclohexyl)-2-propenoic acid
Wiley ID 1304357