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(S)-3-(tert-Butylsulfonyl)-3-methyl-cyclohex-1-ene
SpectraBase Compound ID IG3vIYMNQ2o
InChI InChI=1S/C11H20O2S/c1-10(2,3)14(12,13)11(4)8-6-5-7-9-11/h6,8H,5,7,9H2,1-4H3/t11-/m1/s1
InChIKey LPMBWYUSRWHJPO-LLVKDONJSA-N
Mol Weight 216.34 g/mol
Molecular Formula C11H20O2S
Exact Mass 216.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BDf7RqtldI
Name (S)-3-(tert-Butylsulfonyl)-3-methyl-cyclohex-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.118401056 u
Formula C11H20O2S
InChI InChI=1S/C11H20O2S/c1-10(2,3)14(12,13)11(4)8-6-5-7-9-11/h6,8H,5,7,9H2,1-4H3/t11-/m1/s1
InChIKey LPMBWYUSRWHJPO-LLVKDONJSA-N
Instrument Name Varian Model 3700, Varian MAT 112 S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503123
Molecular Weight 216.339 g/mol
Optical Rotation [a]D = -6.5 (c = 1.07, CH2Cl2)
Quality 71
Reported Formula C11H20O2S
SMILES C1CC[C@@](C=C1)(S(C(C)(C)C)(=O)=O)C
SPLASH splash10-0002-9000000000-6127e177a761e3ddc7f4
Sample Comments 59% ee
Source of Spectrum QE-21-SM7-(S)-48 (DOI: 10.1002/chem.201503123)
Wiley ID 1907406