For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
LMPBQXCLTUCRFU-UHFFFAOYSA-N
SpectraBase Compound ID 1AGfbF7G4b0
InChI InChI=1S/C9H13NO4/c1-3-13-9(12)5-4-8(6-10)14-7(2)11/h8H,3-5H2,1-2H3
InChIKey LMPBQXCLTUCRFU-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C9H13NO4
Exact Mass 199.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1SkQm9WffJB
Name 4-Acetoxy-4-cyano-butyric acid, ethyl ester
CAS Registry Number 52065-76-6
Comments C5 IS 13C ENRICHED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13NO4
InChI InChI=1S/C9H13NO4/c1-3-13-9(12)5-4-8(6-10)14-7(2)11/h8H,3-5H2,1-2H3
InChIKey LMPBQXCLTUCRFU-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A.R. Battersby, E. Hunt, E. McDonald, J. Chem. Soc. Perkin I 2917 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3