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4,4-Dimethyl-1-(methylsulfonyl)-2-pentanone
SpectraBase Compound ID EabQjvt3Q1Z
InChI InChI=1S/C8H16O3S/c1-8(2,3)5-7(9)6-12(4,10)11/h5-6H2,1-4H3
InChIKey WZPWLWBNMJEMIJ-UHFFFAOYSA-N
Mol Weight 192.27 g/mol
Molecular Formula C8H16O3S
Exact Mass 192.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqYNYbzwXY7
Name 4,4-Dimethyl-1-(methylsulfonyl)-2-pentanone
Alternate Name(s) 1-Mesyl-4,4-dimethyl-pentan-2-one 4,4-Dimethyl-1-methylsulfonyl-pentan-2-one 4,4-Dimethyl-1-methylsulfonyl-2-pentanone
CAS Registry Number 123005-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O3S
InChI InChI=1S/C8H16O3S/c1-8(2,3)5-7(9)6-12(4,10)11/h5-6H2,1-4H3
InChIKey WZPWLWBNMJEMIJ-UHFFFAOYSA-N
Molecular Weight 192.273 g/mol
SMILES C(S(=O)(=O)C)C(=O)CC(C)(C)C
SPLASH splash10-0abj-9600000000-f8a9eaebc732e9b7c1ca
Source of Spectrum J-54-5621-2
Wiley ID 1187996