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7-Acetoxy-4-chloro-trans-5-heptenoic acid, ethyl ester

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7-Acetoxy-4-chloro-trans-5-heptenoic acid, ethyl ester
SpectraBase Compound ID 5iYbKM3ILka
InChI InChI=1S/C11H17ClO4/c1-3-15-11(14)7-6-10(12)5-4-8-16-9(2)13/h4-5,10H,3,6-8H2,1-2H3/b5-4+
InChIKey WGMFDPREASTUBG-SNAWJCMRSA-N
Mol Weight 248.71 g/mol
Molecular Formula C11H17ClO4
Exact Mass 248.081537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qNDWECnqg4
Name 7-Acetoxy-4-chloro-trans-5-heptenoic acid, ethyl ester
CAS Registry Number 96039-74-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H17ClO4
InChI InChI=1S/C11H17ClO4/c1-3-15-11(14)7-6-10(12)5-4-8-16-9(2)13/h4-5,10H,3,6-8H2,1-2H3/b5-4+
InChIKey WGMFDPREASTUBG-SNAWJCMRSA-N
Instrument Name Bruker WP-200
Literature Reference J.E. Baeckvall, J.E. Nystroem, R. Norberg, J. Am. Chem. Soc. 107, 3676 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3