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1H-pyrrole-3-ethanaminium, 2-[[3-[2-(diethylammonio)ethyl]-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-(ethoxycarbonyl)-N,N-diethyl-

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1H-pyrrole-3-ethanaminium, 2-[[3-[2-(diethylammonio)ethyl]-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-(ethoxycarbonyl)-N,N-diethyl-
SpectraBase Compound ID EBSHAAQQVsm
InChI InChI=1S/C29H48N4O4.2ClH/c1-9-32(10-2)17-15-22-20(7)26(28(34)36-13-5)30-24(22)19-25-23(16-18-33(11-3)12-4)21(8)27(31-25)29(35)37-14-6;;/h30-31H,9-19H2,1-8H3;2*1H
InChIKey DFSBDYWUXCITNH-UHFFFAOYSA-N
Mol Weight 589.65 g/mol
Molecular Formula C29H50Cl2N4O4
Exact Mass 588.320912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 40XpS2aUxAH
Name 2-[2-{[3-[2-(diethylammonio)ethyl]-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl}-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-3-yl]-N,N-diethylethanaminium 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/C29H48N4O4.2ClH/c1-9-32(10-2)17-15-22-20(7)26(28(34)36-13-5)30-24(22)19-25-23(16-18-33(11-3)12-4)21(8)27(31-25)29(35)37-14-6;;/h30-31H,9-19H2,1-8H3;2*1H
InChIKey DFSBDYWUXCITNH-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1034
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: NMR/9213615; Labnumber: GRI-0000207
Temperature 297 °C