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(E)-4-(2'-Chloro-5'-methoxyphenyl)-but-3-enoic-acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-4-(2'-Chloro-5'-methoxyphenyl)-but-3-enoic-acid
SpectraBase Compound ID E4Kuxrzr76E
InChI InChI=1S/C11H11ClO3/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H,13,14)/b3-2+
InChIKey GIUQQTGCNVSSAM-NSCUHMNNSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 83VIx4AoLYB
Name (E)-4-(2'-Chloro-5'-methoxyphenyl)-but-3-enoic-acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.039671911 u
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H,13,14)/b3-2+
InChIKey GIUQQTGCNVSSAM-NSCUHMNNSA-N
Molecular Weight 226.659 g/mol
SMILES C(O)(=O)C\C=C\C1=C(Cl)C=CC(OC)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878475