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Propanoic acid, 2-(bromomethyl)-3-(ethylthio)-2-methyl-3-oxo-, methyl ester, (S)-
SpectraBase Compound ID 6vnWQ7rPePH
InChI InChI=1S/C8H13BrO3S/c1-4-13-7(11)8(2,5-9)6(10)12-3/h4-5H2,1-3H3/t8-/m0/s1
InChIKey AJJVXRMRJGIXGY-QMMMGPOBSA-N
Mol Weight 269.15 g/mol
Molecular Formula C8H13BrO3S
Exact Mass 267.976878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhqWLGnf9n7
Name Propanoic acid, 2-(bromomethyl)-3-(ethylthio)-2-methyl-3-oxo-, methyl ester, (S)-
CAS Registry Number 131504-48-8
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Formula C8H13BrO3S
InChI InChI=1S/C8H13BrO3S/c1-4-13-7(11)8(2,5-9)6(10)12-3/h4-5H2,1-3H3/t8-/m0/s1
InChIKey AJJVXRMRJGIXGY-QMMMGPOBSA-N
Molecular Weight 269.153 g/mol
SMILES [C@](C(=O)SCC)(C(=O)OC)(CBr)C
SPLASH splash10-0k96-9330000000-4fd2227b13f6a7e6178d
Source of Spectrum H-73-1666-5
Synonyms (-)-(S)-Methyl 3-bromo-2-[(ethylthio)carbonyl]-2-methylpropanoate Methyl (2S)-2-(bromomethyl)-3-(ethylsulfanyl)-2-methyl-3-oxopropanoate
Wiley ID 1271528