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Methyl 4,6-dimethyl-5-(2-bromoethyl)-2-(3-chlorophenylsulfanyl)-benzoate
SpectraBase Compound ID KyQ0eb3MPn8
InChI InChI=1S/C18H18BrClO2S/c1-11-9-16(23-14-6-4-5-13(20)10-14)17(18(21)22-3)12(2)15(11)7-8-19/h4-6,9-10H,7-8H2,1-3H3
InChIKey GEAPUWKJPXEFNB-UHFFFAOYSA-N
Mol Weight 413.76 g/mol
Molecular Formula C18H18BrClO2S
Exact Mass 411.989942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNo7wty8RL8
Name Methyl 4,6-dimethyl-5-(2-bromoethyl)-2-(3-chlorophenylsulfanyl)-benzoate
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Formula C18H18BrClO2S
InChI InChI=1S/C18H18BrClO2S/c1-11-9-16(23-14-6-4-5-13(20)10-14)17(18(21)22-3)12(2)15(11)7-8-19/h4-6,9-10H,7-8H2,1-3H3
InChIKey GEAPUWKJPXEFNB-UHFFFAOYSA-N
Molecular Weight 413.757 g/mol
SMILES c1(c(c(CCBr)c(cc1Sc1cc(Cl)ccc1)C)C)C(=O)OC
SPLASH splash10-03xr-0042900000-b957096da1e0c88447fc
Source of Spectrum F-65-7570-8q
Wiley ID 1680408