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[2R*,4S*,(S)R*]-4-(1,1-dimethylethyl)-2-(methylsulfinyl)cyclohexanone
SpectraBase Compound ID KOz58sTzxpU
InChI InChI=1S/C11H20O2S/c1-11(2,3)8-5-6-9(12)10(7-8)14(4)13/h8,10H,5-7H2,1-4H3/t8-,10+,14?/m1/s1
InChIKey NENJLBBNARJAKD-DWMNJQRDSA-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 J7rHcmDQYxM
Name [2R*,4S*,(S)R*]-4-(1,1-dimethylethyl)-2-(methylsulfinyl)cyclohexanone
CAS Registry Number 125074-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2S
InChI InChI=1S/C11H20O2S/c1-11(2,3)8-5-6-9(12)10(7-8)14(4)13/h8,10H,5-7H2,1-4H3/t8-,10+,14?/m1/s1
InChIKey NENJLBBNARJAKD-DWMNJQRDSA-N
Molecular Weight 216.339 g/mol
SMILES [C@]1(C[C@](C(C)(C)C)(CCC1=O)[H])([S@@](=O)C)[H]
SPLASH splash10-0a4i-9200000000-48477d48375f82c13c19
Source of Spectrum J-55-2126-19
Synonyms (2S,4R)-4-tert-butyl-2-(methylsulfinyl)cyclohexanone
Wiley ID 1215297