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5-Cyano-4-pentenoic acid, ethyl ester
SpectraBase Compound ID 4GEVKOUQVOv
InChI InChI=1S/C8H11NO2/c1-2-11-8(10)6-4-3-5-7-9/h3,5H,2,4,6H2,1H3/b5-3+
InChIKey WOVHRAIWBXAQRC-HWKANZROSA-N
Mol Weight 153.18 g/mol
Molecular Formula C8H11NO2
Exact Mass 153.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuLz775dxkg
Name 5-Cyano-4-pentenoic acid, ethyl ester
CAS Registry Number 112818-24-3
Comments HIGH FIELD SHIFTS, E OR Z ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H11NO2
InChI InChI=1S/C8H11NO2/c1-2-11-8(10)6-4-3-5-7-9/h3,5H,2,4,6H2,1H3/b5-3+
InChIKey WOVHRAIWBXAQRC-HWKANZROSA-N
Instrument Name Varian XL-300
Literature Reference A.L. Beckwith, D.M. O'Shea, S.W. Westwood, J. Am. Chem. Soc. 110, 2565 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3