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2-Benzyl-2-chloro-3-hydroxy-3-methyl-butyric acid methyl ester
SpectraBase Compound ID HzYlNKljaBf
InChI InChI=1S/C13H17ClO3/c1-12(2,16)13(14,11(15)17-3)9-10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3
InChIKey PHNNZXRUKMSSSC-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 JYzDzSjJjdb
Name 2-Benzyl-2-chloro-3-hydroxy-3-methyl-butyric acid methyl ester
Alternate Name(s) 2-Chloro-3-hydroxy-3-methyl-2-(phenylmethyl)butanoic acid methyl ester Methyl 2-benzyl-2-chloro-3-hydroxy-3-methyl-butanoate Methyl 2-chloranyl-3-methyl-3-oxidanyl-2-(phenylmethyl)butanoate
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Formula C13H17ClO3
InChI InChI=1S/C13H17ClO3/c1-12(2,16)13(14,11(15)17-3)9-10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3
InChIKey PHNNZXRUKMSSSC-UHFFFAOYSA-N
Molecular Weight 256.729 g/mol
SMILES OC(C(C(=O)OC)(Cc1ccccc1)Cl)(C)C
SPLASH splash10-004l-9400000000-80660610249542ca5aed
Source of Spectrum SK-26-4119-65525
Wiley ID 867400