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(2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(4-methoxyphenyl)-2-propenamide
SpectraBase Compound ID 7nUsUkq9Ybg
InChI InChI=1S/C31H31N3O3/c1-31(2,3)24-9-13-27(14-10-24)37-18-17-34-21-23(28-7-5-6-8-29(28)34)19-22(20-32)30(35)33-25-11-15-26(36-4)16-12-25/h5-16,19,21H,17-18H2,1-4H3,(H,33,35)/b22-19+
InChIKey UJFBCZVWMOLBPT-ZBJSNUHESA-N
Mol Weight 493.61 g/mol
Molecular Formula C31H31N3O3
Exact Mass 493.236542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LPqVlTspi4I
Name (2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(4-methoxyphenyl)-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/C31H31N3O3/c1-31(2,3)24-9-13-27(14-10-24)37-18-17-34-21-23(28-7-5-6-8-29(28)34)19-22(20-32)30(35)33-25-11-15-26(36-4)16-12-25/h5-16,19,21H,17-18H2,1-4H3,(H,33,35)/b22-19+
InChIKey UJFBCZVWMOLBPT-ZBJSNUHESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2765
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: 9313036; UBI_ID: UBI-002766
Synonyms 3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(4-methoxyphenyl)-2-propenamide
Temperature 318 °C