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Benzeneacetic acid, .alpha.-(1-ethyl-1-hydroxypropyl)-.alpha.-hydroxy-, methyl ester
SpectraBase Compound ID 2Pnb9WDwwOg
InChI InChI=1S/C14H20O4/c1-4-13(16,5-2)14(17,12(15)18-3)11-9-7-6-8-10-11/h6-10,16-17H,4-5H2,1-3H3
InChIKey JIEFJKYPRBSEKA-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RbFkKQrCgu
Name Benzeneacetic acid, .alpha.-(1-ethyl-1-hydroxypropyl)-.alpha.-hydroxy-, methyl ester
Alternate Name(s) Methyl 2-phenyl-2,3-dihydroxy-3-ethylpentanoate Methyl 3-ethyl-2,3-dihydroxy-2-phenylpentanoate
CAS Registry Number 104865-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-4-13(16,5-2)14(17,12(15)18-3)11-9-7-6-8-10-11/h6-10,16-17H,4-5H2,1-3H3
InChIKey JIEFJKYPRBSEKA-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
SMILES OC(C(C(=O)OC)(c1ccccc1)O)(CC)CC
SPLASH splash10-0a4i-5900000000-da53465d25d6ff7768ef
Source of Spectrum F-42-568-3
Wiley ID 1255570