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Methyl 2,2-dimethyl-3-(dodecylthio)-3-oxopropanoate

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Methyl 2,2-dimethyl-3-(dodecylthio)-3-oxopropanoate
SpectraBase Compound ID BYIb0h1pM6I
InChI InChI=1S/C18H34O3S/c1-5-6-7-8-9-10-11-12-13-14-15-22-17(20)18(2,3)16(19)21-4/h5-15H2,1-4H3
InChIKey UPLJKKONYDQFRD-UHFFFAOYSA-N
Mol Weight 330.5 g/mol
Molecular Formula C18H34O3S
Exact Mass 330.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9kxg3UZSHB
Name Methyl 2,2-dimethyl-3-(dodecylthio)-3-oxopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O3S
InChI InChI=1S/C18H34O3S/c1-5-6-7-8-9-10-11-12-13-14-15-22-17(20)18(2,3)16(19)21-4/h5-15H2,1-4H3
InChIKey UPLJKKONYDQFRD-UHFFFAOYSA-N
Molecular Weight 330.527 g/mol
SMILES C(C(=O)SCCCCCCCCCCCC)(C(=O)OC)(C)C
SPLASH splash10-0ufr-6910000000-b987648e7d8f38c5195c
Source of Spectrum H-79-2110-7
Synonyms Methyl 3-(dodecylsulfanyl)-2,2-dimethyl-3-oxopropanoate 3-(dodecylthio)-2,2-dimethyl-3-oxopropanoic acid methyl ester Methyl 3-dodecylsulfanyl-2,2-dimethyl-3-oxopropanoate Methyl 3-dodecylsulfanyl-2,2-dimethyl-3-oxo-propanoate Methyl 3-dodecylsulfanyl-2,2-dimethyl-3-oxidanylidene-propanoate
Wiley ID 1327873