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2,6-Dihydroxy-4-heptenoic acid, butyl ester
SpectraBase Compound ID 95GFtrlzylU
InChI InChI=1S/C11H20O4/c1-3-4-8-15-11(14)10(13)7-5-6-9(2)12/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3/b6-5+
InChIKey LRQKZNPDPNIJRB-AATRIKPKSA-N
Mol Weight 216.28 g/mol
Molecular Formula C11H20O4
Exact Mass 216.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LX2ITUYp0Ix
Name 2,6-Dihydroxy-4-heptenoic acid, butyl ester
CAS Registry Number 76357-20-5
Comments FROM CHMIELEWSKI, TETRAHEDRON 35,2067(1979) THREO-ERYTHRO-MIXTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H20O4
InChI InChI=1S/C11H20O4/c1-3-4-8-15-11(14)10(13)7-5-6-9(2)12/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3/b6-5+
InChIKey LRQKZNPDPNIJRB-AATRIKPKSA-N
Literature Reference M. Chmielewski, Pol. J. Chem. 54, 1331 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3