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methyl 4-chloro-3-[({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}acetyl)amino]-1H-indole-2-carboxylate
SpectraBase Compound ID BxDUoinWA9g
InChI InChI=1S/C23H22ClF3N4O3/c1-34-22(33)21-20(19-16(24)6-3-7-17(19)28-21)29-18(32)13-30-8-10-31(11-9-30)15-5-2-4-14(12-15)23(25,26)27/h2-7,12,28H,8-11,13H2,1H3,(H,29,32)
InChIKey DNWBRBPHPDKYLA-UHFFFAOYSA-N
Mol Weight 494.9 g/mol
Molecular Formula C23H22ClF3N4O3
Exact Mass 494.133253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lpJ1dDH7LD
Name methyl 4-chloro-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/C23H22ClF3N4O3/c1-34-22(33)21-20(19-16(24)6-3-7-17(19)28-21)29-18(32)13-30-8-10-31(11-9-30)15-5-2-4-14(12-15)23(25,26)27/h2-7,12,28H,8-11,13H2,1H3,(H,29,32)
InChIKey DNWBRBPHPDKYLA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24925
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: D48938; Labnumber: SIMAK-01631; SBI_ID: SBI-024929
Temperature 308 °C