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2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SpectraBase Compound ID ICqTUPSEed7
InChI InChI=1S/C26H30N4O3/c1-18-2-4-22-20(12-18)21-15-30(7-6-23(21)27-22)26(31)16-29-10-8-28(9-11-29)14-19-3-5-24-25(13-19)33-17-32-24/h2-5,12-13,27H,6-11,14-17H2,1H3
InChIKey CXBSZNOKLYYNQU-UHFFFAOYSA-N
Mol Weight 446.55 g/mol
Molecular Formula C26H30N4O3
Exact Mass 446.231791 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DozhyqVfC4e
Name 2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl}-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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/C26H30N4O3/c1-18-2-4-22-20(12-18)21-15-30(7-6-23(21)27-22)26(31)16-29-10-8-28(9-11-29)14-19-3-5-24-25(13-19)33-17-32-24/h2-5,12-13,27H,6-11,14-17H2,1H3
InChIKey CXBSZNOKLYYNQU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3990
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: 121044; Labnumber: SIMAK-00003; VK_ID: VK-003991
Temperature 318 °C