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Methyl 5-(2-Chloro-2-phenylethyl)-4,6-dimethyl-3-propylsalicylate
SpectraBase Compound ID AfBajcF45y
InChI InChI=1S/C21H25ClO3/c1-5-9-16-13(2)17(12-18(22)15-10-7-6-8-11-15)14(3)19(20(16)23)21(24)25-4/h6-8,10-11,18,23H,5,9,12H2,1-4H3
InChIKey BBPWUNLKEAIIQM-UHFFFAOYSA-N
Mol Weight 360.88 g/mol
Molecular Formula C21H25ClO3
Exact Mass 360.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DhJlRfilc
Name Methyl 5-(2-Chloro-2-phenylethyl)-4,6-dimethyl-3-propylsalicylate
Alternate Name(s) 5-(2-Chloro-2-phenylethyl)-2-hydroxy-4,6-dimethyl-3-propylbenzoic acid methyl ester Methyl 5-(2-chloro-2-phenylethyl)-2-hydroxy-4,6-dimethyl-3-propylbenzoate Methyl 5-(2-chloro-2-phenyl-ethyl)-2-hydroxy-4,6-dimethyl-3-propyl-benzoate Methyl 3-(2-chloranyl-2-phenyl-ethyl)-2,4-dimethyl-6-oxidanyl-5-propyl-benzoate
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Formula C21H25ClO3
InChI InChI=1S/C21H25ClO3/c1-5-9-16-13(2)17(12-18(22)15-10-7-6-8-11-15)14(3)19(20(16)23)21(24)25-4/h6-8,10-11,18,23H,5,9,12H2,1-4H3
InChIKey BBPWUNLKEAIIQM-UHFFFAOYSA-N
Molecular Weight 360.881 g/mol
SMILES Oc1c(c(c(CC(c2ccccc2)Cl)c(c1CCC)C)C)C(=O)OC
SPLASH splash10-0udr-0090000000-e7424c6d2ce34bcf607e
Source of Spectrum U1-2010-3748-8f
Wiley ID 1663967