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2-Benzyl-3-hydroxy-2-methylsuccinic acid, diethyl ester
SpectraBase Compound ID KMZgith5kmf
InChI InChI=1S/C16H22O5/c1-4-20-14(18)13(17)16(3,15(19)21-5-2)11-12-9-7-6-8-10-12/h6-10,13,17H,4-5,11H2,1-3H3
InChIKey USHHLISBRVGGJW-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhGJ8KEhUl9
Name 2-Benzyl-3-hydroxy-2-methylsuccinic acid, diethyl ester
Alternate Name(s) 3-Hydroxy-2-methyl-2-(phenylmethyl)butanedioic acid diethyl ester Diethyl 2-benzyl-3-hydroxy-2-methyl-butanedioate Diethyl 2-benzyl-3-hydroxy-2-methylsuccinate Diethyl 2-methyl-3-oxidanyl-2-(phenylmethyl)butanedioate Diethyl 2-benzyl-3-hydroxy-2-methylbutanedioate
CAS Registry Number 111833-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-4-20-14(18)13(17)16(3,15(19)21-5-2)11-12-9-7-6-8-10-12/h6-10,13,17H,4-5,11H2,1-3H3
InChIKey USHHLISBRVGGJW-UHFFFAOYSA-N
Molecular Weight 294.347 g/mol
SMILES OC(C(Cc1ccccc1)(C(=O)OCC)C)C(=O)OCC
SPLASH splash10-0006-9800000000-0e9954f791d1557ee983
Wiley ID 1480696