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Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester
SpectraBase Compound ID LmNe7bWERy9
InChI InChI=1S/C13H17ClO3/c1-13(2,3)17-12(16)8-11(15)9-4-6-10(14)7-5-9/h4-7,11,15H,8H2,1-3H3
InChIKey JXAQRILJTUCCKS-UHFFFAOYSA-N
Mol Weight 256.73 g/mol
Molecular Formula C13H17ClO3
Exact Mass 256.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2CEGkykjR
Name Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester
Alternate Name(s) 3-(4-Chlorophenyl)-3-hydroxy-propionic acid tert-butyl ester 3-(4-Chlorophenyl)-3-hydroxypropanoic acid tert-butyl ester tert-Butyl 3-(4-chlorophenyl)-3-hydroxy-propanoate tert-Butyl 3-(4-chlorophenyl)-3-oxidanyl-propanoate
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Formula C13H17ClO3
InChI InChI=1S/C13H17ClO3/c1-13(2,3)17-12(16)8-11(15)9-4-6-10(14)7-5-9/h4-7,11,15H,8H2,1-3H3
InChIKey JXAQRILJTUCCKS-UHFFFAOYSA-N
Molecular Weight 256.729 g/mol
SMILES OC(c1ccc(Cl)cc1)CC(=O)OC(C)(C)C
SPLASH splash10-052f-7910000000-5b36c720c0ddd5d64e4c
Wiley ID 1490198