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2-propenoic acid, 2-cyano-3-[5-(3,4-dichlorophenyl)-2-furanyl]-, octylester, (2E)-
SpectraBase Compound ID 2WW9Zf7c3XE
InChI InChI=1S/C22H23Cl2NO3/c1-2-3-4-5-6-7-12-27-22(26)17(15-25)13-18-9-11-21(28-18)16-8-10-19(23)20(24)14-16/h8-11,13-14H,2-7,12H2,1H3/b17-13+
InChIKey FBKITNQGSMXTLQ-GHRIWEEISA-N
Mol Weight 420.34 g/mol
Molecular Formula C22H23Cl2NO3
Exact Mass 419.105499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KixwYGkL7PJ
Name 2-propenoic acid, 2-cyano-3-[5-(3,4-dichlorophenyl)-2-furanyl]-, octylester, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.105499002 u
Formula C22H23Cl2NO3
InChI InChI=1S/C22H23Cl2NO3/c1-2-3-4-5-6-7-12-27-22(26)17(15-25)13-18-9-11-21(28-18)16-8-10-19(23)20(24)14-16/h8-11,13-14H,2-7,12H2,1H3/b17-13+
InChIKey FBKITNQGSMXTLQ-GHRIWEEISA-N
Molecular Weight 420.336 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6932
Solvent DMSO-d6
Source Vendor ID: NMR/9321354; Lab Info: OBU; Lab Number: OBU-0004531
Temperature 23.85 °C