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1-(Methylsulphonyl)-2-heptadecanone
SpectraBase Compound ID 7We8cLZ2akS
InChI InChI=1S/C18H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-22(2,20)21/h3-17H2,1-2H3
InChIKey HDGSZRAINWTXOZ-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C18H36O3S
Exact Mass 332.238516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrtEKlWsOMV
Name 1-(Methylsulphonyl)-2-heptadecanone
Alternate Name(s) 1-(methylsulfonyl)-2-heptadecanone
CAS Registry Number 76078-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O3S
InChI InChI=1S/C18H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-22(2,20)21/h3-17H2,1-2H3
InChIKey HDGSZRAINWTXOZ-UHFFFAOYSA-N
Molecular Weight 332.543 g/mol
SMILES C(S(=O)(=O)C)C(=O)CCCCCCCCCCCCCCC
SPLASH splash10-052s-9730000000-8995f147861f9b51705f
Source of Spectrum W5-1989-24688-1
Wiley ID 1329419