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3-Hydroxy-2,2-dimethyl-3-phenyl-butyric acid methyl ester
SpectraBase Compound ID JYaxts0r4P2
InChI InChI=1S/C13H18O3/c1-12(2,11(14)16-4)13(3,15)10-8-6-5-7-9-10/h5-9,15H,1-4H3
InChIKey TUBQJLDHEUIQCG-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PMMtjcy2Vr
Name 3-Hydroxy-2,2-dimethyl-3-phenyl-butyric acid methyl ester
Alternate Name(s) 3-Hydroxy-2,2-dimethyl-3-phenylbutanoic acid methyl ester Methyl 2,2-dimethyl-3-oxidanyl-3-phenyl-butanoate Methyl 3-hydroxy-2,2-dimethyl-3-phenyl-butanoate
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-12(2,11(14)16-4)13(3,15)10-8-6-5-7-9-10/h5-9,15H,1-4H3
InChIKey TUBQJLDHEUIQCG-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(C(C(=O)OC)(C)C)(c1ccccc1)C
SPLASH splash10-00di-0910000000-ccd30efbb44fe37461db
Source of Spectrum KC-0-3259-6
Wiley ID 826584