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cis-4-tert-butyl-2-(methylsulfonyl)cyclohexanone
SpectraBase Compound ID IQabAs52kFD
InChI InChI=1S/C11H20O3S/c1-11(2,3)8-5-6-9(12)10(7-8)15(4,13)14/h8,10H,5-7H2,1-4H3/t8-,10-/m1/s1
InChIKey NGTMYCKAOAWZHQ-PSASIEDQSA-N
Mol Weight 232.34 g/mol
Molecular Formula C11H20O3S
Exact Mass 232.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2PkDLT3Uwk
Name cis-4-tert-butyl-2-(methylsulfonyl)cyclohexanone
CAS Registry Number 108920-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3S
InChI InChI=1S/C11H20O3S/c1-11(2,3)8-5-6-9(12)10(7-8)15(4,13)14/h8,10H,5-7H2,1-4H3/t8-,10-/m1/s1
InChIKey NGTMYCKAOAWZHQ-PSASIEDQSA-N
Molecular Weight 232.338 g/mol
SMILES [C@]1(S(=O)(=O)C)(C[C@](C(C)(C)C)(CCC1=O)[H])[H]
SPLASH splash10-052b-9100000000-11bf8c2335ac22168066
Source of Spectrum J-52-3623-6
Synonyms (2R,4R)-4-tert-butyl-2-(methylsulfonyl)cyclohexanone cis-4-tert-2-(methylsulfonyl)cyclohexanone
Wiley ID 1233486