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2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium chloride
SpectraBase Compound ID 1zK6PvKCxkY
InChI InChI=1S/C20H20ClN2O2.ClH/c1-23(10-13-8-19-20(9-16(13)21)25-12-24-19)7-6-18-15(11-23)14-4-2-3-5-17(14)22-18;/h2-5,8-9,22H,6-7,10-12H2,1H3;1H/q+1;/p-1
InChIKey GSVFOWLETBQHCG-UHFFFAOYSA-M
Mol Weight 391.3 g/mol
Molecular Formula C20H20Cl2N2O2
Exact Mass 390.090183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LcRSj4SSr3P
Name 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium chloride
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/C20H20ClN2O2.ClH/c1-23(10-13-8-19-20(9-16(13)21)25-12-24-19)7-6-18-15(11-23)14-4-2-3-5-17(14)22-18;/h2-5,8-9,22H,6-7,10-12H2,1H3;1H/q+1;/p-1
InChIKey GSVFOWLETBQHCG-UHFFFAOYSA-M
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2405
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: D02854; Labnumber: AFAPR-02-0064; SBI_ID: SBI-002407
Temperature 303 °C