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methyl 5,6-dimethoxy-3-[({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}acetyl)amino]-1H-indole-2-carboxylate
SpectraBase Compound ID CHMASEoblj7
InChI InChI=1S/C25H27F3N4O5/c1-35-19-12-17-18(13-20(19)36-2)29-23(24(34)37-3)22(17)30-21(33)14-31-7-9-32(10-8-31)16-6-4-5-15(11-16)25(26,27)28/h4-6,11-13,29H,7-10,14H2,1-3H3,(H,30,33)
InChIKey CWTAYZSOXFWYET-UHFFFAOYSA-N
Mol Weight 520.51 g/mol
Molecular Formula C25H27F3N4O5
Exact Mass 520.193354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID y7vsj9CwiF
Name methyl 5,6-dimethoxy-3-[({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}acetyl)amino]-1H-indole-2-carboxylate
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/C25H27F3N4O5/c1-35-19-12-17-18(13-20(19)36-2)29-23(24(34)37-3)22(17)30-21(33)14-31-7-9-32(10-8-31)16-6-4-5-15(11-16)25(26,27)28/h4-6,11-13,29H,7-10,14H2,1-3H3,(H,30,33)
InChIKey CWTAYZSOXFWYET-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8449
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: 127975; Labnumber: SIMAK-00044; VK_ID: VK-008453
Temperature 315 °C