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3,6-bis(1-undecanethiol-N'-11-dabco-N-methyl)-1,2,4,5-tetramethylbenzene tetrabromide

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3,6-bis(1-undecanethiol-N'-11-dabco-N-methyl)-1,2,4,5-tetramethylbenzene tetrabromide
SpectraBase Compound ID Hl8pRlYc7Fp
InChI InChI=1S/C46H84N4S2.4BrH/c1-41-42(2)46(40-50-34-28-48(29-35-50,30-36-50)24-20-16-12-8-6-10-14-18-22-38-52)44(4)43(3)45(41)39-49-31-25-47(26-32-49,27-33-49)23-19-15-11-7-5-9-13-17-21-37-51;;;;/h5-40H2,1-4H3;4*1H/q+2;;;;/p-2
InChIKey LDNNERYUWHAYCY-UHFFFAOYSA-L
Mol Weight 1078.958 g/mol
Molecular Formula C46H86Br4N4S2
Exact Mass 1074.302743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlCTBVuItMF
Name 3,6-bis(1-undecanethiol-N'-11-dabco-N-methyl)-1,2,4,5-tetramethylbenzene tetrabromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H86Br4N4S2
InChI InChI=1S/C46H84N4S2.4BrH/c1-41-42(2)46(40-50-34-28-48(29-35-50,30-36-50)24-20-16-12-8-6-10-14-18-22-38-52)44(4)43(3)45(41)39-49-31-25-47(26-32-49,27-33-49)23-19-15-11-7-5-9-13-17-21-37-51;;;;/h5-40H2,1-4H3;4*1H/q+2;;;;/p-2
InChIKey LDNNERYUWHAYCY-UHFFFAOYSA-L
Molecular Weight 1078.958 g/mol
SMILES [Br-].SCCCCCCCCCCC[N+]12CC[N+](Cc3c(c(c(C[N+]45CC[N+](CCCCCCCCCCCS)(CC5)CC4)c(c3C)C)C)C)(CC1)CC2.[Br-].[Br-].[Br-]
SPLASH splash10-0002-0090000000-ac0d86dcb0487dbeec39
Source of Spectrum F-56-4507-7
Wiley ID 857612