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(R)-Methyl-[2-hydroxy-2-methyl-4-oxo-4-(4-chlorophenyl)]-butanoate
SpectraBase Compound ID KV4maxUjSid
InChI InChI=1S/C12H13ClO4/c1-12(16,11(15)17-2)7-10(14)8-3-5-9(13)6-4-8/h3-6,16H,7H2,1-2H3/t12-/m1/s1
InChIKey DLNJLEGYIKYVKK-GFCCVEGCSA-N
Mol Weight 256.68 g/mol
Molecular Formula C12H13ClO4
Exact Mass 256.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Wme8d6qfuJ
Name (R)-Methyl-[2-hydroxy-2-methyl-4-oxo-4-(4-chlorophenyl)]-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO4
InChI InChI=1S/C12H13ClO4/c1-12(16,11(15)17-2)7-10(14)8-3-5-9(13)6-4-8/h3-6,16H,7H2,1-2H3/t12-/m1/s1
InChIKey DLNJLEGYIKYVKK-GFCCVEGCSA-N
Literature Reference DOI 10.1021/ol703065x
Molecular Weight 256.685 g/mol
SMILES O[C@](C)(CC(=O)c1ccc(cc1)Cl)C(OC)=O
SPLASH splash10-000j-0900000000-5be29ddd70e51fc0a61b
Source of Spectrum A1-10-917/SMS12-7j
Synonyms (R)-methyl 4-(4-chlorophenyl)-2-hydroxy-2-methyl-4-oxobutanoate (2R)-4-(4-chlorophenyl)-2-hydroxy-2-methyl-4-oxobutanoic acid methyl ester Methyl (2R)-4-(4-chlorophenyl)-2-hydroxy-2-methyl-4-oxobutanoate Methyl (2R)-4-(4-chlorophenyl)-2-hydroxy-2-methyl-4-oxo-butanoate Methyl (2R)-4-(4-chlorophenyl)-2-methyl-2-oxidanyl-4-oxidanylidene-butanoate
Wiley ID 1759171