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2-[2-Methyl-3-(phenylsulfonyl)propyl]cyclododecanone
SpectraBase Compound ID JdkV6akztLz
InChI InChI=1S/C22H34O3S/c1-19(18-26(24,25)21-14-10-8-11-15-21)17-20-13-9-6-4-2-3-5-7-12-16-22(20)23/h8,10-11,14-15,19-20H,2-7,9,12-13,16-18H2,1H3
InChIKey JHZWXEDXVBMPNM-UHFFFAOYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C22H34O3S
Exact Mass 378.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qOZwON9858
Name 2-[2-Methyl-3-(phenylsulfonyl)propyl]cyclododecanone
Alternate Name(s) 2-(2-Methyl-3-(phenylsulfonyl)propyl)cyclododecan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3S
InChI InChI=1S/C22H34O3S/c1-19(18-26(24,25)21-14-10-8-11-15-21)17-20-13-9-6-4-2-3-5-7-12-16-22(20)23/h8,10-11,14-15,19-20H,2-7,9,12-13,16-18H2,1H3
InChIKey JHZWXEDXVBMPNM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19830660816
Molecular Weight 378.571 g/mol
SMILES C1CCC(C(CCCCCCC1)=O)CC(CS(c1ccccc1)(=O)=O)C
SPLASH splash10-05nf-9000000000-eba0e2a55560a369968b
Source of Spectrum H-66-2517-19
Wiley ID 1794867