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Methyl 4-(cyanoacetyl)benzoate

View entire compound with spectra: 2 NMR, and 1 FTIR

Methyl 4-(cyanoacetyl)benzoate
SpectraBase Compound ID FlbzumbEy16
InChI InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3
InChIKey CTZGTFNYYYZXTE-UHFFFAOYSA-N
Mol Weight 203.2 g/mol
Molecular Formula C11H9NO3
Exact Mass 203.058243 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BqyDNHKhix2
Name Methyl 4-(cyanoacetyl)benzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 403512
CAS Registry Number 69316-08-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO3
InChI InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3
InChIKey CTZGTFNYYYZXTE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent Acetonitrile-d3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008837