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(R)-BENZYL-(3,3-DIMETHYL-2-HYDROXYBUTANOATE)
SpectraBase Compound ID CKLB6etu5oD
InChI InChI=1S/C13H18O3/c1-13(2,3)11(14)12(15)16-9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m0/s1
InChIKey QQAAPHHYAWZQJW-NSHDSACASA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LhwLZVmk3b
Name (R)-BENZYL-(3,3-DIMETHYL-2-HYDROXYBUTANOATE)
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2,3)11(14)12(15)16-9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m0/s1
InChIKey QQAAPHHYAWZQJW-NSHDSACASA-N
Literature Reference Author E.GOROBETS,R.M.DONALD,B.A.KEAY
Literature Reference Citation ORG.LETTERS,8,1483(2006)
Literature Reference DOI 10.1021/ol060484p
Molecular Weight 222.284 g/mol
Sample ID 40081
Solvent CDCl3