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Methyl 2-methyl-2-bromomethyl-3-(dodecylthio)-3-oxopropanoate
SpectraBase Compound ID EbdOpt8Owtz
InChI InChI=1S/C18H33BrO3S/c1-4-5-6-7-8-9-10-11-12-13-14-23-17(21)18(2,15-19)16(20)22-3/h4-15H2,1-3H3
InChIKey XFIRRRDSERAJII-UHFFFAOYSA-N
Mol Weight 409.4 g/mol
Molecular Formula C18H33BrO3S
Exact Mass 408.133379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8wCMRh2yx6
Name Methyl 2-methyl-2-bromomethyl-3-(dodecylthio)-3-oxopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33BrO3S
InChI InChI=1S/C18H33BrO3S/c1-4-5-6-7-8-9-10-11-12-13-14-23-17(21)18(2,15-19)16(20)22-3/h4-15H2,1-3H3
InChIKey XFIRRRDSERAJII-UHFFFAOYSA-N
Molecular Weight 409.423 g/mol
SMILES C(C(=O)SCCCCCCCCCCCC)(C(=O)OC)(CBr)C
SPLASH splash10-0zfr-2980000000-89e6c502b79346216484
Source of Spectrum H-79-2110-5
Synonyms Methyl 2-(bromomethyl)-3-(dodecylsulfanyl)-2-methyl-3-oxopropanoate
Wiley ID 1372790