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Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.,5-dimethyl-, ethyl ester, (R)-
SpectraBase Compound ID BubXSfNU2oH
InChI InChI=1S/C12H16O4/c1-4-16-11(14)12(3,15)9-7-8(2)5-6-10(9)13/h5-7,13,15H,4H2,1-3H3/t12-/m1/s1
InChIKey ATZHRLKOPDVLOF-GFCCVEGCSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPPQhbnQlKd
Name Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.,5-dimethyl-, ethyl ester, (R)-
CAS Registry Number 113322-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-4-16-11(14)12(3,15)9-7-8(2)5-6-10(9)13/h5-7,13,15H,4H2,1-3H3/t12-/m1/s1
InChIKey ATZHRLKOPDVLOF-GFCCVEGCSA-N
Molecular Weight 224.256 g/mol
SMILES O[C@](c1c(ccc(c1)C)O)(C(=O)OCC)C
SPLASH splash10-0udi-0900000000-f6e3609df90652bc0971
Source of Spectrum J-53-1783-0
Synonyms Ethyl (2R)-2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
Wiley ID 1224996