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1H-isoindole-2-propanaminium, 5-chloro-N,N-diethyl-2,3,3a,4,7,7a-hexahydro-N-(2-hydroxyethyl)-1,3-dioxo-, bromide
SpectraBase Compound ID 9twdV1letw3
InChI InChI=1S/C17H28ClN2O3.BrH/c1-3-20(4-2,10-11-21)9-5-8-19-16(22)14-7-6-13(18)12-15(14)17(19)23;/h6,14-15,21H,3-5,7-12H2,1-2H3;1H/q+1;/p-1
InChIKey YIYKXMIIUUXIRO-UHFFFAOYSA-M
Mol Weight 423.78 g/mol
Molecular Formula C17H28BrClN2O3
Exact Mass 422.097183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rYKjciL0bJ
Name 1H-isoindole-2-propanaminium, 5-chloro-N,N-diethyl-2,3,3a,4,7,7a-hexahydro-N-(2-hydroxyethyl)-1,3-dioxo-, bromide
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/C17H28ClN2O3.BrH/c1-3-20(4-2,10-11-21)9-5-8-19-16(22)14-7-6-13(18)12-15(14)17(19)23;/h6,14-15,21H,3-5,7-12H2,1-2H3;1H/q+1;/p-1
InChIKey YIYKXMIIUUXIRO-UHFFFAOYSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_133
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/10318420