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5-[(N,N-Diisopropylcarbamoyl)methyl]phenanthridinium bromide
SpectraBase Compound ID 4BlAjAj3q3M
InChI InChI=1S/C21H25N2O.BrH/c1-15(2)23(16(3)4)21(24)14-22-13-17-9-5-6-10-18(17)19-11-7-8-12-20(19)22;/h5-13,15-16H,14H2,1-4H3;1H/q+1;/p-1
InChIKey COOQFLBBJDIKMR-UHFFFAOYSA-M
Mol Weight 401.35 g/mol
Molecular Formula C21H25BrN2O
Exact Mass 400.115026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bqys33zQJ4o
Name 5-[(N,N-Diisopropylcarbamoyl)methyl]phenanthridinium bromide
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Formula C21H25BrN2O
InChI InChI=1S/C21H25N2O.BrH/c1-15(2)23(16(3)4)21(24)14-22-13-17-9-5-6-10-18(17)19-11-7-8-12-20(19)22;/h5-13,15-16H,14H2,1-4H3;1H/q+1;/p-1
InChIKey COOQFLBBJDIKMR-UHFFFAOYSA-M
Molecular Weight 401.348 g/mol
SMILES [Br-].c12[n+](cc3c(c2cccc1)cccc3)CC(N(C(C)C)C(C)C)=O
SPLASH splash10-0036-5900000000-2e13c23ce259c27185a1
Source of Spectrum G-64-2000-2b
Synonyms 2-(5-phenanthridin-5-iumyl)-N,N-di(propan-2-yl)acetamide;bromide 2-Phenanthridin-5-ium-5-yl-N,N-di(propan-2-yl)acetamide;bromide 2-Phenanthridin-5-ium-5-yl-N,N-di(propan-2-yl)ethanamide;bromide
Wiley ID 749558