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2-propenoic acid, 3-[5-(3-bromophenyl)-2-furanyl]-2-cyano-, octylester, (2E)-
SpectraBase Compound ID AhK1MAetvkS
InChI InChI=1S/C22H24BrNO3/c1-2-3-4-5-6-7-13-26-22(25)18(16-24)15-20-11-12-21(27-20)17-9-8-10-19(23)14-17/h8-12,14-15H,2-7,13H2,1H3/b18-15+
InChIKey JSAWJUSXMPMSJN-OBGWFSINSA-N
Mol Weight 430.34 g/mol
Molecular Formula C22H24BrNO3
Exact Mass 429.093957 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cok4tmpn2ER
Name 2-propenoic acid, 3-[5-(3-bromophenyl)-2-furanyl]-2-cyano-, 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 429.093956634 u
Formula C22H24BrNO3
InChI InChI=1S/C22H24BrNO3/c1-2-3-4-5-6-7-13-26-22(25)18(16-24)15-20-11-12-21(27-20)17-9-8-10-19(23)14-17/h8-12,14-15H,2-7,13H2,1H3/b18-15+
InChIKey JSAWJUSXMPMSJN-OBGWFSINSA-N
Molecular Weight 430.342 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6935
Solvent DMSO-d6
Source Vendor ID: NMR/9321357; Lab Info: OBU; Lab Number: OBU-0004535
Temperature 23.85 °C