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2-Acetoxy-6-hydroxy-4-heptenoic acid, butyl ester

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2-Acetoxy-6-hydroxy-4-heptenoic acid, butyl ester
SpectraBase Compound ID GvivlIxhR62
InChI InChI=1S/C13H22O5/c1-4-5-9-17-13(16)12(18-11(3)15)8-6-7-10(2)14/h6-7,10,12,14H,4-5,8-9H2,1-3H3/b7-6+
InChIKey XDDQPNLHAJTTND-VOTSOKGWSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUl27baAPpZ
Name 2-Acetoxy-6-hydroxy-4-heptenoic acid, butyl ester
CAS Registry Number 76357-27-2
Comments FROM CHMIELEWSKI, TETRAHEDRON 35,2067(1979)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-4-5-9-17-13(16)12(18-11(3)15)8-6-7-10(2)14/h6-7,10,12,14H,4-5,8-9H2,1-3H3/b7-6+
InChIKey XDDQPNLHAJTTND-VOTSOKGWSA-N
Literature Reference M. Chmielewski, Pol. J. Chem. 54, 1331 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3