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1-(2-(3,4-dichlorophenyl)-2-oxoethyl)-3-hexadecyl-1H-benzo[d]imidazol-2(3H)-iminium bromide
SpectraBase Compound ID KYNMlYkqZfH
InChI InChI=1S/C31H44Cl2N3O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-35-28-18-15-16-19-29(28)36(31(35)34)24-30(37)25-20-21-26(32)27(33)23-25;/h15-16,18-21,23H,2-14,17,22,24,34H2,1H3;1H/q+1;/p-1
InChIKey YTDOUYXYOKGZPD-UHFFFAOYSA-M
Mol Weight 625.5 g/mol
Molecular Formula C31H44BrCl2N3O
Exact Mass 623.204481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlVE83SQWxt
Name 1-(2-(3,4-dichlorophenyl)-2-oxoethyl)-3-hexadecyl-1H-benzo[d]imidazol-2(3H)-iminium 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/C31H44Cl2N3O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-35-28-18-15-16-19-29(28)36(31(35)34)24-30(37)25-20-21-26(32)27(33)23-25;/h15-16,18-21,23H,2-14,17,22,24,34H2,1H3;1H/q+1;/p-1
InChIKey YTDOUYXYOKGZPD-UHFFFAOYSA-M
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12802
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: 101260; Labnumber: RRVA-681; VK_ID: VK-012807
Temperature 308 °C