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Cyanoacetic acid, methyl ester

View entire compound with spectra: 21 NMR, 10 FTIR, 1 Raman, 7 MS (GC), and 2 Near IR

Cyanoacetic acid, methyl ester
SpectraBase Compound ID DSg9OtsIARl
InChI InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
InChIKey ANGDWNBGPBMQHW-UHFFFAOYSA-N
Mol Weight 99.09 g/mol
Molecular Formula C4H5NO2
Exact Mass 99.032028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3R8vC44OFQI
Name 2-CYANO-ACETIC-ACID-METHYLESTER-CARBANION
Compound Number 3 A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H5NO2
InChI InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
InChIKey ANGDWNBGPBMQHW-UHFFFAOYSA-N
Literature Reference Author A.ABBOTTO,S.BRADAMANTE,G.A.PAGANI
Literature Reference Citation J.ORG.CHEM.,58,449(1993)
Literature Reference DOI 10.1021/jo00054a031
Molecular Weight 99.089 g/mol
Solvent DMSO-D6;C=0.33M
Source File Reference UWCS18717