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3-(3,4-dichlorophenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
SpectraBase Compound ID DTgx7cOBxpZ
InChI InChI=1S/C23H23Cl2N2O2.BrH/c1-29-18-9-6-16(7-10-18)22(28)15-26-14-21(17-8-11-19(24)20(25)13-17)27-12-4-2-3-5-23(26)27;/h6-11,13-14H,2-5,12,15H2,1H3;1H/q+1;/p-1
InChIKey FXQLTTGHLDSXJW-UHFFFAOYSA-M
Mol Weight 510.26 g/mol
Molecular Formula C23H23BrCl2N2O2
Exact Mass 508.031996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DrTiJXxoxVp
Name 3-(3,4-dichlorophenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium 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/C23H23Cl2N2O2.BrH/c1-29-18-9-6-16(7-10-18)22(28)15-26-14-21(17-8-11-19(24)20(25)13-17)27-12-4-2-3-5-23(26)27;/h6-11,13-14H,2-5,12,15H2,1H3;1H/q+1;/p-1
InChIKey FXQLTTGHLDSXJW-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5951
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: 121858; Labnumber: EX00112253; VK_ID: VK-005954
Temperature 308 °C