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Methyl 4-cyanobenzoate

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Methyl 4-cyanobenzoate
SpectraBase Compound ID 8uPvy7rTgSc
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3
InChIKey KKZMIDYKRKGJHG-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QIGU1v86nK
Name 4-Cyano-benzoic acid, methyl ester
CAS Registry Number 1129-35-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3
InChIKey KKZMIDYKRKGJHG-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference O. Exner, M. Budesinsky, Magn. Res. Chem. 27, 27 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3