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METHYL-[6,6-(2)-(H)-(2)]-4-THIASTEARATE

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METHYL-[6,6-(2)-(H)-(2)]-4-THIASTEARATE
SpectraBase Compound ID HGOeFLgZYBT
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18(19)20-2/h3-17H2,1-2H3/i14D2
InChIKey IQLRLCPVSLJFTD-FNHLFAINSA-N
Mol Weight 318.6 g/mol
Molecular Formula C18H342H2O2S
Exact Mass 318.256155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FrHYZ405NE
Name Methyl [6,6-D2]-4-thiastearate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34D2O2S
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18(19)20-2/h3-17H2,1-2H3/i14D2
InChIKey IQLRLCPVSLJFTD-FNHLFAINSA-N
Molecular Weight 318.556 g/mol
SMILES C(CCSCC(CCCCCCCCCCCC)([2D])[2D])(=O)OC
SPLASH splash10-001i-2091000000-b55fe2d3a6c1ef871bd9
Source of Spectrum J-66-1215-1
Synonyms 3-(2,2-dideuteriotetradecylthio)propanoic acid methyl ester Methyl 3-(2,2-dideuteriotetradecylsulfanyl)propanoate
Wiley ID 1534488