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Methyl 5-[2-(4-Bromophenyl)-2-chloroethyl]-4,6-dimethylsalicylate
SpectraBase Compound ID 90KFPmzwQs7
InChI InChI=1S/C18H18BrClO3/c1-10-8-16(21)17(18(22)23-3)11(2)14(10)9-15(20)12-4-6-13(19)7-5-12/h4-8,15,21H,9H2,1-3H3
InChIKey JLSVOVBMUJDTLN-UHFFFAOYSA-N
Mol Weight 397.7 g/mol
Molecular Formula C18H18BrClO3
Exact Mass 396.012785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QYNjq6KMi
Name Methyl 5-[2-(4-Bromophenyl)-2-chloroethyl]-4,6-dimethylsalicylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrClO3
InChI InChI=1S/C18H18BrClO3/c1-10-8-16(21)17(18(22)23-3)11(2)14(10)9-15(20)12-4-6-13(19)7-5-12/h4-8,15,21H,9H2,1-3H3
InChIKey JLSVOVBMUJDTLN-UHFFFAOYSA-N
Molecular Weight 397.696 g/mol
SMILES Oc1c(c(c(CC(c2ccc(cc2)Br)Cl)c(c1)C)C)C(=O)OC
SPLASH splash10-03dl-0900000000-3600a9ea0539e9eb6fcd
Source of Spectrum U1-2010-3748-8l
Wiley ID 1663961