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cyanoacetic acid, allyl ester

View entire compound with spectra: 6 NMR, 2 FTIR, and 2 Near IR

cyanoacetic acid, allyl ester
SpectraBase Compound ID LtUjHMJfHyU
InChI InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
InChIKey WXKCRCGKCOKJEF-UHFFFAOYSA-N
Mol Weight 125.13 g/mol
Molecular Formula C6H7NO2
Exact Mass 125.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FrnWIkRMaQf
Name Allyl cyanoacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 360961
CAS Registry Number 13361-32-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7NO2
InChI InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
InChIKey WXKCRCGKCOKJEF-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007498