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3-METHOXY-5-(ORTHO-CHLORPHENYL)-2,4-PENTADIENSAEURE

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3-METHOXY-5-(ORTHO-CHLORPHENYL)-2,4-PENTADIENSAEURE
SpectraBase Compound ID Cat4olO5RaW
InChI InChI=1S/C12H11ClO3/c1-16-10(8-12(14)15)7-6-9-4-2-3-5-11(9)13/h2-8H,1H3,(H,14,15)/b7-6+,10-8-
InChIKey WXACQEUQTFRSMA-QDJLDCPTSA-N
Mol Weight 238.67 g/mol
Molecular Formula C12H11ClO3
Exact Mass 238.039672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdPTD9rIkCl
Name 3-Methoxy-5-(2-chloro-phenyl)-pentadienoic acid
CAS Registry Number 63164-81-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11ClO3
InChI InChI=1S/C12H11ClO3/c1-16-10(8-12(14)15)7-6-9-4-2-3-5-11(9)13/h2-8H,1H3,(H,14,15)/b7-6+,10-8-
InChIKey WXACQEUQTFRSMA-QDJLDCPTSA-N
Instrument Name Jeol PFT-100
Literature Reference R. Radeglia, R. Wolff, S.L. Spassov, Org. Magn. Resonance 11, 390 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6