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1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperazinediium dichloride
SpectraBase Compound ID 3Wl1scX4MZn
InChI InChI=1S/C24H27N3O3.2ClH/c1-17-24(19-5-3-4-6-20(19)25(17)2)21(28)15-27-11-9-26(10-12-27)14-18-7-8-22-23(13-18)30-16-29-22;;/h3-8,13H,9-12,14-16H2,1-2H3;2*1H
InChIKey REOBFCAROSTHSD-UHFFFAOYSA-N
Mol Weight 478.42 g/mol
Molecular Formula C24H29Cl2N3O3
Exact Mass 477.158597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLq2FrTecw6
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperazinediium dichloride
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/C24H27N3O3.2ClH/c1-17-24(19-5-3-4-6-20(19)25(17)2)21(28)15-27-11-9-26(10-12-27)14-18-7-8-22-23(13-18)30-16-29-22;;/h3-8,13H,9-12,14-16H2,1-2H3;2*1H
InChIKey REOBFCAROSTHSD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13469
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: 102090; Labnumber: PRBS3-411-0114; VK_ID: VK-013474
Temperature 308 °C