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7Zyv9jFBqqY
spectrumID
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7Zyv9jFBqqY
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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methyl 4-chloro-3-({[4-(2-pyridinyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
SpectraBase Compound ID CwRJE4XYxKy
InChI InChI=1S/C21H22ClN5O3/c1-30-21(29)20-19(18-14(22)5-4-6-15(18)24-20)25-17(28)13-26-9-11-27(12-10-26)16-7-2-3-8-23-16/h2-8,24H,9-13H2,1H3,(H,25,28)
InChIKey XNFJUGZXYWPICQ-UHFFFAOYSA-N
Mol Weight 427.89 g/mol
Molecular Formula C21H22ClN5O3
Exact Mass 427.141117 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Zyv9jFBqqY
Name methyl 4-chloro-3-({[4-(2-pyridinyl)-1-piperazinyl]acetyl}amino)-1H-indole-2-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22ClN5O3/c1-30-21(29)20-19(18-14(22)5-4-6-15(18)24-20)25-17(28)13-26-9-11-27(12-10-26)16-7-2-3-8-23-16/h2-8,24H,9-13H2,1H3,(H,25,28)
InChIKey XNFJUGZXYWPICQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13679
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: D88720; Labnumber: SIMAK-01871; SBI_ID: SBI-013682
Temperature 308 °C
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