1,3,5-triazine-1,3,5-triethanaminium, N~1~,N~1~,N~3~,N~3~,N~5~,N~5~-hexaethylhexahydro-N~1~,N~3~,N~5~-tris[(3-nitrophenyl)methyl]-2,4,6-trioxo-, tribromide

SpectraBase Compound ID	DLK55Hn8bxp
InChI	InChI=1S/C42H60N9O9.3BrH/c1-7-49(8-2,31-34-16-13-19-37(28-34)46(55)56)25-22-43-40(52)44(23-26-50(9-3,10-4)32-35-17-14-20-38(29-35)47(57)58)42(54)45(41(43)53)24-27-51(11-5,12-6)33-36-18-15-21-39(30-36)48(59)60;;;/h13-21,28-30H,7-12,22-27,31-33H2,1-6H3;3*1H/q+3;;;/p-3
InChIKey	IXZGKVFYUKKQAA-UHFFFAOYSA-K Google Search
Mol Weight	1074.708 g/mol
Molecular Formula	C42H60Br3N9O9
Exact Mass	1071.206414 g/mol

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SpectraBase Spectrum ID	LUqqcu1wZdS
Name	1,3,5-triazine-1,3,5-triethanaminium, N~1~,N~1~,N~3~,N~3~,N~5~,N~5~-hexaethylhexahydro-N~1~,N~3~,N~5~-tris[(3-nitrophenyl)methyl]-2,4,6-trioxo-, 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/C42H60N9O9.3BrH/c1-7-49(8-2,31-34-16-13-19-37(28-34)46(55)56)25-22-43-40(52)44(23-26-50(9-3,10-4)32-35-17-14-20-38(29-35)47(57)58)42(54)45(41(43)53)24-27-51(11-5,12-6)33-36-18-15-21-39(30-36)48(59)60;;;/h13-21,28-30H,7-12,22-27,31-33H2,1-6H3;3*1H/q+3;;;/p-3
InChIKey	IXZGKVFYUKKQAA-UHFFFAOYSA-K
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_CB_8313_1437
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/9245676; Labnumber: SHY-0000034
Temperature	303 °C