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ETHYL-4-CYANOBUTANOATE
SpectraBase Compound ID DQqgfjJH8Z0
InChI InChI=1S/C7H11NO2/c1-2-10-7(9)5-3-4-6-8/h2-5H2,1H3
InChIKey GHXXCVVSJXZBPO-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C7H11NO2
Exact Mass 141.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7hxkDgnrPx
Name 4-Cyano-butanoic acid, ethyl ester
CAS Registry Number 10444-38-9
Comments C5 IS C-13 AND N8 IS N-15 ENRICHED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H11NO2
InChI InChI=1S/C7H11NO2/c1-2-10-7(9)5-3-4-6-8/h2-5H2,1H3
InChIKey GHXXCVVSJXZBPO-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E. Leete, J.A. McDonell, J. Am. Chem. Soc. 658 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3