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methyl 4-chloro-3-({[4-(4-chlorophenyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
SpectraBase Compound ID KGSuuBebm1n
InChI InChI=1S/C22H22Cl2N4O3/c1-31-22(30)21-20(19-16(24)3-2-4-17(19)25-21)26-18(29)13-27-9-11-28(12-10-27)15-7-5-14(23)6-8-15/h2-8,25H,9-13H2,1H3,(H,26,29)
InChIKey LEXYOQZXOPAJAO-UHFFFAOYSA-N
Mol Weight 461.35 g/mol
Molecular Formula C22H22Cl2N4O3
Exact Mass 460.106896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AILp3lEtuu5
Name methyl 4-chloro-3-({[4-(4-chlorophenyl)-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/C22H22Cl2N4O3/c1-31-22(30)21-20(19-16(24)3-2-4-17(19)25-21)26-18(29)13-27-9-11-28(12-10-27)15-7-5-14(23)6-8-15/h2-8,25H,9-13H2,1H3,(H,26,29)
InChIKey LEXYOQZXOPAJAO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13678
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: D88719; Labnumber: SIMAK-01870; SBI_ID: SBI-013681
Temperature 308 °C