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2-propenoic acid, 2-cyano-3-(5-phenyl-2-furanyl)-, octyl ester, (2E)-
SpectraBase Compound ID 2XOcH0jQ7rj
InChI InChI=1S/C22H25NO3/c1-2-3-4-5-6-10-15-25-22(24)19(17-23)16-20-13-14-21(26-20)18-11-8-7-9-12-18/h7-9,11-14,16H,2-6,10,15H2,1H3/b19-16+
InChIKey HGQDEROEOCVXQE-KNTRCKAVSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1CLrwi1Lzq1
Name 2-propenoic acid, 2-cyano-3-(5-phenyl-2-furanyl)-, octyl ester, (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 351.183443666 u
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-2-3-4-5-6-10-15-25-22(24)19(17-23)16-20-13-14-21(26-20)18-11-8-7-9-12-18/h7-9,11-14,16H,2-6,10,15H2,1H3/b19-16+
InChIKey HGQDEROEOCVXQE-KNTRCKAVSA-N
Molecular Weight 351.446 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6931
Solvent DMSO-d6
Source Vendor ID: NMR/9321353; Lab Info: OBU; Lab Number: OBU-0004527
Temperature 23.85 °C