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2-Chloro-2-[hydroxy(phenyl)methyl]hexanoic acid methyl ester
SpectraBase Compound ID IGBkaCEOjqR
InChI InChI=1S/C14H19ClO3/c1-3-4-10-14(15,13(17)18-2)12(16)11-8-6-5-7-9-11/h5-9,12,16H,3-4,10H2,1-2H3
InChIKey DPCUSHGQPCDJAS-UHFFFAOYSA-N
Mol Weight 270.76 g/mol
Molecular Formula C14H19ClO3
Exact Mass 270.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuGNVHhQeKd
Name 2-Chloro-2-[hydroxy(phenyl)methyl]hexanoic acid methyl ester
Alternate Name(s) Methyl 2-chloranyl-2-[oxidanyl(phenyl)methyl]hexanoate Methyl 2-chloro-2-[hydroxy(phenyl)methyl]hexanoate
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Formula C14H19ClO3
InChI InChI=1S/C14H19ClO3/c1-3-4-10-14(15,13(17)18-2)12(16)11-8-6-5-7-9-11/h5-9,12,16H,3-4,10H2,1-2H3
InChIKey DPCUSHGQPCDJAS-UHFFFAOYSA-N
Molecular Weight 270.756 g/mol
SMILES OC(C(C(=O)OC)(Cl)CCCC)c1ccccc1
SPLASH splash10-0c29-2900000000-e839d464863f13c032d2
Source of Spectrum SK-26-4120-65522
Wiley ID 867397