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piperazinediium, 1-[[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-methyl-1H-indol-2-yl]methyl]-4-methyl-, dichloride
SpectraBase Compound ID 98XMps4qYFv
InChI InChI=1S/C19H26BrN3O3.2ClH/c1-5-26-19(24)18-13-10-17(25-4)14(20)11-15(13)22(3)16(18)12-23-8-6-21(2)7-9-23;;/h10-11H,5-9,12H2,1-4H3;2*1H
InChIKey QNVLDMFCCKWGOI-UHFFFAOYSA-N
Mol Weight 497.26 g/mol
Molecular Formula C19H28BrCl2N3O3
Exact Mass 495.06911 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ehi9bU2fen3
Name piperazinediium, 1-[[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-methyl-1H-indol-2-yl]methyl]-4-methyl-, 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/C19H26BrN3O3.2ClH/c1-5-26-19(24)18-13-10-17(25-4)14(20)11-15(13)22(3)16(18)12-23-8-6-21(2)7-9-23;;/h10-11H,5-9,12H2,1-4H3;2*1H
InChIKey QNVLDMFCCKWGOI-UHFFFAOYSA-N
NMR Offset 18.5111
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_3664
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: ZI/6053252; Labnumber: JMR-0214; IOH_ID: IOH-010667
Temperature 323 °C