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XPBHWSMZTSSEJE-UHFFFAOYSA-N
SpectraBase Compound ID 32GGRC9x1t
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChIKey XPBHWSMZTSSEJE-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 Ku0R5XhjFAW
Name 3-Cyano-benzoic acid, methyl ester
CAS Registry Number 13531-48-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChIKey XPBHWSMZTSSEJE-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