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

View entire compound with spectra: 1 MS (GC)

2,5-bis(1-undecanethiol-N'-11-dabco-N-methyl)-1,4-dimethylbenzene tetrabromide
SpectraBase Compound ID HVpJhNmuBzw
InChI InChI=1S/C44H80N4S2.4BrH/c1-41-37-44(40-48-32-26-46(27-33-48,28-34-48)22-18-14-10-6-4-8-12-16-20-36-50)42(2)38-43(41)39-47-29-23-45(24-30-47,25-31-47)21-17-13-9-5-3-7-11-15-19-35-49;;;;/h37-38H,3-36,39-40H2,1-2H3;4*1H/q+2;;;;/p-2
InChIKey KIZRVDFFUJBZQN-UHFFFAOYSA-L
Mol Weight 1050.904 g/mol
Molecular Formula C44H82Br4N4S2
Exact Mass 1046.271443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bQ5ilx7bM
Name 2,5-bis(1-undecanethiol-N'-11-dabco-N-methyl)-1,4-dimethylbenzene tetrabromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H82Br4N4S2
InChI InChI=1S/C44H80N4S2.4BrH/c1-41-37-44(40-48-32-26-46(27-33-48,28-34-48)22-18-14-10-6-4-8-12-16-20-36-50)42(2)38-43(41)39-47-29-23-45(24-30-47,25-31-47)21-17-13-9-5-3-7-11-15-19-35-49;;;;/h37-38H,3-36,39-40H2,1-2H3;4*1H/q+2;;;;/p-2
InChIKey KIZRVDFFUJBZQN-UHFFFAOYSA-L
Molecular Weight 1050.904 g/mol
SMILES [Br-].SCCCCCCCCCCC[N+]12CC[N+](Cc3c(cc(C[N+]45CC[N+](CCCCCCCCCCCS)(CC5)CC4)c(c3)C)C)(CC1)CC2.[Br-].[Br-].[Br-]
SPLASH splash10-0w2a-0940000000-af8adb1811523382c11e
Source of Spectrum F-56-4507-8
Wiley ID 857611