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2-propenoic acid, 2-cyano-3-[5-(2,5-dichlorophenyl)-2-furanyl]-, octylester, (2E)-
SpectraBase Compound ID 1HdQTMqp4FC
InChI InChI=1S/C22H23Cl2NO3/c1-2-3-4-5-6-7-12-27-22(26)16(15-25)13-18-9-11-21(28-18)19-14-17(23)8-10-20(19)24/h8-11,13-14H,2-7,12H2,1H3/b16-13+
InChIKey BRTCDNQGDKKWLC-DTQAZKPQSA-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 A0QOyo7rxAx
Name 2-propenoic acid, 2-cyano-3-[5-(2,5-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)16(15-25)13-18-9-11-21(28-18)19-14-17(23)8-10-20(19)24/h8-11,13-14H,2-7,12H2,1H3/b16-13+
InChIKey BRTCDNQGDKKWLC-DTQAZKPQSA-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_6933
Solvent DMSO-d6
Source Vendor ID: NMR/9321355; Lab Info: OBU; Lab Number: OBU-0004532
Temperature 23.85 °C