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ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-5-methoxy-1-methyl-1H-indole-2-carboxylate
SpectraBase Compound ID 7D3aiwZYG1M
InChI InChI=1S/C27H32N4O6/c1-4-35-27(33)26-25(20-14-19(34-3)6-7-21(20)29(26)2)28-24(32)16-31-11-9-30(10-12-31)15-18-5-8-22-23(13-18)37-17-36-22/h5-8,13-14H,4,9-12,15-17H2,1-3H3,(H,28,32)
InChIKey KWLGDOUAZXIFAV-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C27H32N4O6
Exact Mass 508.232185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3VHZRnPs4iD
Name ethyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-5-methoxy-1-methyl-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/C27H32N4O6/c1-4-35-27(33)26-25(20-14-19(34-3)6-7-21(20)29(26)2)28-24(32)16-31-11-9-30(10-12-31)15-18-5-8-22-23(13-18)37-17-36-22/h5-8,13-14H,4,9-12,15-17H2,1-3H3,(H,28,32)
InChIKey KWLGDOUAZXIFAV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3983
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: E00079; Labnumber: SIMAK-02117; SBI_ID: SBI-003985
Temperature 318 °C