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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

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SpectraBase Spectrum ID LLmpePMu8Uq
Name 4-CYANO-4-HYDROXYBUTYRIC ACID, ETHYL ESTER, ACETATE
Source of Sample A. R. Battersby, E. Hunt, E. Mcdonald J. Chem. Soc. Perkin Trans. I, 1973, 2917
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 199.21
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms BUTYRIC ACID, 4-CYANO-4-HYDROXY-, ETHYL ESTER, ACETATE