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Isobutyl 4-(2-chloroethyl)-1-hydroxy-5-methyl-3-phenyl-2-benzoate
SpectraBase Compound ID Bn50iJTRUN7
InChI InChI=1S/C20H23ClO3/c1-13(2)12-24-20(23)19-17(22)11-14(3)16(9-10-21)18(19)15-7-5-4-6-8-15/h4-8,11,13,22H,9-10,12H2,1-3H3
InChIKey CETAULKBPROKAI-UHFFFAOYSA-N
Mol Weight 346.85 g/mol
Molecular Formula C20H23ClO3
Exact Mass 346.133572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HSyH2WAK
Name Isobutyl 4-(2-chloroethyl)-1-hydroxy-5-methyl-3-phenyl-2-benzoate
Alternate Name(s) 3-(2-Chloroethyl)-6-hydroxy-4-methyl-2-phenylbenzoic acid 2-methylpropyl ester 2-Methylpropyl 3-(2-chloroethyl)-6-hydroxy-4-methyl-2-phenylbenzoate isobutyl 3-(2-chloroethyl)-6-hydroxy-4-methyl-2-phenyl-benzoate 2-Methylpropyl 3-(2-chloroethyl)-4-methyl-6-oxidanyl-2-phenyl-benzoate
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Formula C20H23ClO3
InChI InChI=1S/C20H23ClO3/c1-13(2)12-24-20(23)19-17(22)11-14(3)16(9-10-21)18(19)15-7-5-4-6-8-15/h4-8,11,13,22H,9-10,12H2,1-3H3
InChIKey CETAULKBPROKAI-UHFFFAOYSA-N
Molecular Weight 346.854 g/mol
SMILES Oc1c(c(c(CCCl)c(c1)C)-c1ccccc1)C(OCC(C)C)=O
SPLASH splash10-00di-2192000000-0b12604bd40ba5ebcbfe
Source of Spectrum F-69-9133-3
Wiley ID 1595963