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1,1'-bis(2-(4-chlorophenyl)-2-oxoethyl)-6,6',7,7',8,8',9,9'-octahydro-5H,5'H-[3,3'-bi[1,2,4]triazolo[4,3-a]azepine]-1,1'-diium bromide

View entire compound with spectra: 1 NMR

1,1'-bis(2-(4-chlorophenyl)-2-oxoethyl)-6,6',7,7',8,8',9,9'-octahydro-5H,5'H-[3,3'-bi[1,2,4]triazolo[4,3-a]azepine]-1,1'-diium bromide
SpectraBase Compound ID HqeZHXSZsnD
InChI InChI=1S/C30H32Cl2N6O2.2BrH/c31-23-13-9-21(10-14-23)25(39)19-37-27-7-3-1-5-17-35(27)29(33-37)30-34-38(28-8-4-2-6-18-36(28)30)20-26(40)22-11-15-24(32)16-12-22;;/h9-16H,1-8,17-20H2;2*1H/q+2;;/p-2
InChIKey RWQKXJDDSXFMQI-UHFFFAOYSA-L
Mol Weight 739.34 g/mol
Molecular Formula C30H32Br2Cl2N6O2
Exact Mass 736.033056 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kah7LTb2jIF
Name 1,1'-bis(2-(4-chlorophenyl)-2-oxoethyl)-6,6',7,7',8,8',9,9'-octahydro-5H,5'H-[3,3'-bi[1,2,4]triazolo[4,3-a]azepine]-1,1'-diium 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/C30H32Cl2N6O2.2BrH/c31-23-13-9-21(10-14-23)25(39)19-37-27-7-3-1-5-17-35(27)29(33-37)30-34-38(28-8-4-2-6-18-36(28)30)20-26(40)22-11-15-24(32)16-12-22;;/h9-16H,1-8,17-20H2;2*1H/q+2;;/p-2
InChIKey RWQKXJDDSXFMQI-UHFFFAOYSA-L
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5964
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: 121873; Labnumber: EX00112306; VK_ID: VK-005967
Temperature 308 °C