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methyl 1,4-dimethyl-3-[({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}acetyl)amino]-1H-indole-2-carboxylate
SpectraBase Compound ID CkqBb6Kxwys
InChI InChI=1S/C25H27F3N4O3/c1-16-6-4-9-19-21(16)22(23(30(19)2)24(34)35-3)29-20(33)15-31-10-12-32(13-11-31)18-8-5-7-17(14-18)25(26,27)28/h4-9,14H,10-13,15H2,1-3H3,(H,29,33)
InChIKey UDRQXZVXGWPUAV-UHFFFAOYSA-N
Mol Weight 488.51 g/mol
Molecular Formula C25H27F3N4O3
Exact Mass 488.203525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7AHRORtmJVT
Name methyl 1,4-dimethyl-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/C25H27F3N4O3/c1-16-6-4-9-19-21(16)22(23(30(19)2)24(34)35-3)29-20(33)15-31-10-12-32(13-11-31)18-8-5-7-17(14-18)25(26,27)28/h4-9,14H,10-13,15H2,1-3H3,(H,29,33)
InChIKey UDRQXZVXGWPUAV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4447
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: E01518; Labnumber: SIMAK-02178; SBI_ID: SBI-004449
Temperature 318 °C