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(2R,4S)-4-tert-butyl-2-mesyl-cyclohexanone
SpectraBase Compound ID L0gUqjfxrLF
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+/m0/s1
InChIKey NGTMYCKAOAWZHQ-WCBMZHEXSA-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 JVFjvKsxyck
Name (2R,4S)-4-tert-butyl-2-mesyl-cyclohexanone
Alternate Name(s) (2R,4S)-4-tert-butyl-2-methylsulfonyl-1-cyclohexanone (2R,4S)-4-tert-butyl-2-methylsulfonyl-cyclohexan-1-one (2R,4S)-4-tert-butyl-2-methylsulfonylcyclohexan-1-one
CAS Registry Number 84613-31-0
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+/m0/s1
InChIKey NGTMYCKAOAWZHQ-WCBMZHEXSA-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-9100000000-2c9ccdbc86761329687d
Source of Spectrum J-52-3623-5
Wiley ID 1233485