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3-({[4-(3-chlorophenyl)-1-piperazinyl]acetyl}amino)-5-methyl-1H-indole-2-carboxylic acid
SpectraBase Compound ID B2IIEV6F117
InChI InChI=1S/C22H23ClN4O3/c1-14-5-6-18-17(11-14)20(21(24-18)22(29)30)25-19(28)13-26-7-9-27(10-8-26)16-4-2-3-15(23)12-16/h2-6,11-12,24H,7-10,13H2,1H3,(H,25,28)(H,29,30)
InChIKey BRJZCEMUVXUOFM-UHFFFAOYSA-N
Mol Weight 426.9 g/mol
Molecular Formula C22H23ClN4O3
Exact Mass 426.145868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C7AiiKqxIQL
Name 3-({[4-(3-chlorophenyl)-1-piperazinyl]acetyl}amino)-5-methyl-1H-indole-2-carboxylic acid
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/C22H23ClN4O3/c1-14-5-6-18-17(11-14)20(21(24-18)22(29)30)25-19(28)13-26-7-9-27(10-8-26)16-4-2-3-15(23)12-16/h2-6,11-12,24H,7-10,13H2,1H3,(H,25,28)(H,29,30)
InChIKey BRJZCEMUVXUOFM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8530
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: 128084; Labnumber: SIMAK-00153; VK_ID: VK-008534
Temperature 315 °C