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OPKOIQXGDVIXMJ-UXBLZVDNSA-N
SpectraBase Compound ID IzCsFyd4JgX
InChI InChI=1S/C12H10ClNO2/c1-2-16-12(15)10(8-14)6-9-4-3-5-11(13)7-9/h3-7H,2H2,1H3/b10-6+
InChIKey OPKOIQXGDVIXMJ-UXBLZVDNSA-N
Mol Weight 235.67 g/mol
Molecular Formula C12H10ClNO2
Exact Mass 235.040006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8S3bdPDjbdr
Name (E)-3-Chloro-A-cyano-cinnamic acid, ethyl ester
CAS Registry Number 14394-72-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10ClNO2
InChI InChI=1S/C12H10ClNO2/c1-2-16-12(15)10(8-14)6-9-4-3-5-11(13)7-9/h3-7H,2H2,1H3/b10-6+
InChIKey OPKOIQXGDVIXMJ-UXBLZVDNSA-N
Instrument Name Jeol FX-100
Literature Reference S. Datta, A. De, S.P. Bhattacharyya, J. Chem. Soc. Perkin II 1599 (1988).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6