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methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-1,4-dimethyl-1H-indole-2-carboxylate
SpectraBase Compound ID 9Sa8WhTtfcl
InChI InChI=1S/C26H30N4O5/c1-17-5-4-6-19-23(17)24(25(28(19)2)26(32)33-3)27-22(31)15-30-11-9-29(10-12-30)14-18-7-8-20-21(13-18)35-16-34-20/h4-8,13H,9-12,14-16H2,1-3H3,(H,27,31)
InChIKey GCVCYSWJXAGRRB-UHFFFAOYSA-N
Mol Weight 478.55 g/mol
Molecular Formula C26H30N4O5
Exact Mass 478.22162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HyDmwU6ozmd
Name methyl 3-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}amino)-1,4-dimethyl-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/C26H30N4O5/c1-17-5-4-6-19-23(17)24(25(28(19)2)26(32)33-3)27-22(31)15-30-11-9-29(10-12-30)14-18-7-8-20-21(13-18)35-16-34-20/h4-8,13H,9-12,14-16H2,1-3H3,(H,27,31)
InChIKey GCVCYSWJXAGRRB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4432
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: E01503; Labnumber: SIMAK-02163; SBI_ID: SBI-004434
Temperature 318 °C