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(3-((13-(1H-imidazol-1-yl)octadecanoyl)oxy)propyl)triphenylphosphonium bromide
SpectraBase Compound ID AVMQTvmoCsK
InChI InChI=1S/C42H58N2O2P.BrH/c1-2-3-14-24-38(44-34-33-43-37-44)25-15-9-7-5-4-6-8-10-22-32-42(45)46-35-23-36-47(39-26-16-11-17-27-39,40-28-18-12-19-29-40)41-30-20-13-21-31-41;/h11-13,16-21,26-31,33-34,37-38H,2-10,14-15,22-25,32,35-36H2,1H3;1H/q+1;/p-1
InChIKey YBPFAJRYXGMZCJ-UHFFFAOYSA-M
Mol Weight 733.8 g/mol
Molecular Formula C42H58BrN2O2P
Exact Mass 732.341929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4m2l7mhTVkn
Name (3-((13-(1H-imidazol-1-yl)octadecanoyl)oxy)propyl)triphenylphosphonium bromide
Appearance Gummy semi-solid
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Formula C42H58BrN2O2P
InChI InChI=1S/C42H58N2O2P.BrH/c1-2-3-14-24-38(44-34-33-43-37-44)25-15-9-7-5-4-6-8-10-22-32-42(45)46-35-23-36-47(39-26-16-11-17-27-39,40-28-18-12-19-29-40)41-30-20-13-21-31-41;/h11-13,16-21,26-31,33-34,37-38H,2-10,14-15,22-25,32,35-36H2,1H3;1H/q+1;/p-1
InChIKey YBPFAJRYXGMZCJ-UHFFFAOYSA-M
Ionization Type EI
Molecular Weight 733.816 g/mol
SMILES [Br-].C(CCCCCCCCCCC(CCCCC)[n]1cncc1)C(OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O
SPLASH splash10-014i-9000000000-f647da344adbdf7bfb1b
Source of Spectrum US20130203829A1
Wiley ID 1847752