For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzenemethanaminium, N-[2-[(3,5-bis[[2-[diethyl(phenylmethyl)ammonio]ethyl]thio]-2,4,6-trioxo-1,3,5-triazin-1(2H,4H,6H)-yl)thio]ethyl]-N,N-diethyl-, tribromide
SpectraBase Compound ID 85iwrnqmReR
InChI InChI=1S/C42H63N6O3S3.3BrH/c1-7-46(8-2,34-37-22-16-13-17-23-37)28-31-52-43-40(49)44(53-32-29-47(9-3,10-4)35-38-24-18-14-19-25-38)42(51)45(41(43)50)54-33-30-48(11-5,12-6)36-39-26-20-15-21-27-39;;;/h13-27H,7-12,28-36H2,1-6H3;3*1H/q+3;;;/p-3
InChIKey ZWIWGSMRFHKFEF-UHFFFAOYSA-K
Mol Weight 1035.897 g/mol
Molecular Formula C42H63Br3N6O3S3
Exact Mass 1032.167392 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EHhjFPo1g4h
Name benzenemethanaminium, N-[2-[(3,5-bis[[2-[diethyl(phenylmethyl)ammonio]ethyl]thio]-2,4,6-trioxo-1,3,5-triazin-1(2H,4H,6H)-yl)thio]ethyl]-N,N-diethyl-, tribromide
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/C42H63N6O3S3.3BrH/c1-7-46(8-2,34-37-22-16-13-17-23-37)28-31-52-43-40(49)44(53-32-29-47(9-3,10-4)35-38-24-18-14-19-25-38)42(51)45(41(43)50)54-33-30-48(11-5,12-6)36-39-26-20-15-21-27-39;;;/h13-27H,7-12,28-36H2,1-6H3;3*1H/q+3;;;/p-3
InChIKey ZWIWGSMRFHKFEF-UHFFFAOYSA-K
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1456
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/9245714; Labnumber: SHY-0000072
Temperature 303 °C