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2-(bromomethyl)-2-methyl-3-(octadecylthio)-3-oxopropanoic acid methyl ester
SpectraBase Compound ID 1SIRGhfKmER
InChI InChI=1S/C24H45BrO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(27)24(2,21-25)22(26)28-3/h4-21H2,1-3H3
InChIKey QRIHLNWGFPCZJV-UHFFFAOYSA-N
Mol Weight 493.6 g/mol
Molecular Formula C24H45BrO3S
Exact Mass 492.227279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23FTlbckXyY
Name 2-(bromomethyl)-2-methyl-3-(octadecylthio)-3-oxopropanoic acid methyl ester
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Formula C24H45BrO3S
InChI InChI=1S/C24H45BrO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(27)24(2,21-25)22(26)28-3/h4-21H2,1-3H3
InChIKey QRIHLNWGFPCZJV-UHFFFAOYSA-N
Molecular Weight 493.585 g/mol
SMILES C(C(=O)SCCCCCCCCCCCCCCCCCC)(C(=O)OC)(CBr)C
SPLASH splash10-0a5r-8791000000-626b48c073455001df88
Source of Spectrum H-79-2110-5
Synonyms 2-(bromomethyl)-3-keto-2-methyl-3-(stearylthio)propionic acid methyl ester Methyl 2-(bromomethyl)-2-methyl-3-(octadecylsulfanyl)-3-oxopropanoate Methyl 2-(bromomethyl)-2-methyl-3-octadecylsulfanyl-3-oxidanylidene-propanoate Methyl 2-(bromomethyl)-2-methyl-3-octadecylsulfanyl-3-oxopropanoate
Wiley ID 1397511