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(2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(4-fluorophenyl)-2-propenamide
SpectraBase Compound ID A5Wo5eLSj1y
InChI InChI=1S/C30H28FN3O2/c1-30(2,3)23-8-14-26(15-9-23)36-17-16-34-20-22(27-6-4-5-7-28(27)34)18-21(19-32)29(35)33-25-12-10-24(31)11-13-25/h4-15,18,20H,16-17H2,1-3H3,(H,33,35)/b21-18+
InChIKey CHVUDLZUYNBHSH-DYTRJAOYSA-N
Mol Weight 481.57 g/mol
Molecular Formula C30H28FN3O2
Exact Mass 481.216555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LVmYGQuE4wT
Name (2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(4-fluorophenyl)-2-propenamide
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/C30H28FN3O2/c1-30(2,3)23-8-14-26(15-9-23)36-17-16-34-20-22(27-6-4-5-7-28(27)34)18-21(19-32)29(35)33-25-12-10-24(31)11-13-25/h4-15,18,20H,16-17H2,1-3H3,(H,33,35)/b21-18+
InChIKey CHVUDLZUYNBHSH-DYTRJAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15663
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: C75032; Labnumber: SPDEM-1514; SBI_ID: SBI-015666
Synonyms 3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(4-fluorophenyl)-2-propenamide
Temperature 318 °C