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4-(2-bromophenyl)-4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-1-hexanaminium chloride
SpectraBase Compound ID 1hyRWRbG8zi
InChI InChI=1S/C25H33BrN2O2.ClH/c1-19(2)25(18-27,21-9-6-7-10-22(21)26)14-8-15-28(3)16-13-20-11-12-23(29-4)24(17-20)30-5;/h6-7,9-12,17,19H,8,13-16H2,1-5H3;1H
InChIKey HERCCRZFFCUTNE-UHFFFAOYSA-N
Mol Weight 509.9 g/mol
Molecular Formula C25H34BrClN2O2
Exact Mass 508.149219 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KRBZ9B3Zjgo
Name 4-(2-bromophenyl)-4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-1-hexanaminium 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/C25H33BrN2O2.ClH/c1-19(2)25(18-27,21-9-6-7-10-22(21)26)14-8-15-28(3)16-13-20-11-12-23(29-4)24(17-20)30-5;/h6-7,9-12,17,19H,8,13-16H2,1-5H3;1H
InChIKey HERCCRZFFCUTNE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17593
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: 987/00005823; Labnumber: 987/00005823218871; VK_ID: VK-017598
Temperature 318 °C