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1,2-ethanediaminium, N~1~-[[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl]-N~2~,N~2~-diethyl-, dichloride

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1,2-ethanediaminium, N~1~-[[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl]-N~2~,N~2~-diethyl-, dichloride
SpectraBase Compound ID BgeAqq2Qjav
InChI InChI=1S/C19H28BrN3O3.2ClH/c1-5-23(6-2)9-8-21-12-16-18(19(25)26-7-3)13-10-17(24)14(20)11-15(13)22(16)4;;/h10-11,21,24H,5-9,12H2,1-4H3;2*1H
InChIKey HEIDDELWXGQMKK-UHFFFAOYSA-N
Mol Weight 499.28 g/mol
Molecular Formula C19H30BrCl2N3O3
Exact Mass 497.08476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9KrDf41p7Kw
Name 1,2-ethanediaminium, N~1~-[[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl]-N~2~,N~2~-diethyl-, dichloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.084760235 u
Formula C19H30BrCl2N3O3
InChI InChI=1S/C19H28BrN3O3.2ClH/c1-5-23(6-2)9-8-21-12-16-18(19(25)26-7-3)13-10-17(24)14(20)11-15(13)22(16)4;;/h10-11,21,24H,5-9,12H2,1-4H3;2*1H
InChIKey HEIDDELWXGQMKK-UHFFFAOYSA-N
Molecular Weight 499.277 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_420
Solvent DMSO-d6
Source Vendor ID: NMR/8305742; Lab Info: JMR; Lab Number: JMR-D000396
Temperature 29.85 °C