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2-propenamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenyl)amino]-3-[[(3-fluorophenyl)methyl]thio]-, (2E)-

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2-propenamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenyl)amino]-3-[[(3-fluorophenyl)methyl]thio]-, (2E)-
SpectraBase Compound ID 4EGZazPmlCs
InChI InChI=1S/C29H30FN3O4S/c1-4-37-25-11-6-5-10-24(25)33-29(38-19-21-8-7-9-22(30)16-21)23(18-31)28(34)32-15-14-20-12-13-26(35-2)27(17-20)36-3/h5-13,16-17,33H,4,14-15,19H2,1-3H3,(H,32,34)/b29-23+
InChIKey VSMJGKGADUKZHL-BYNJWEBRSA-N
Mol Weight 535.63 g/mol
Molecular Formula C29H30FN3O4S
Exact Mass 535.194106 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E7CcsOZqssu
Name 2-propenamide, 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenyl)amino]-3-[[(3-fluorophenyl)methyl]thio]-, (2E)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H30FN3O4S/c1-4-37-25-11-6-5-10-24(25)33-29(38-19-21-8-7-9-22(30)16-21)23(18-31)28(34)32-15-14-20-12-13-26(35-2)27(17-20)36-3/h5-13,16-17,33H,4,14-15,19H2,1-3H3,(H,32,34)/b29-23+
InChIKey VSMJGKGADUKZHL-BYNJWEBRSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7403
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10328975