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5-({N-[1-(1'-Adamantyl)ethyl]carbamoyl}methyl)phenanthridinium bromide
SpectraBase Compound ID FVQ4NGRkVJF
InChI InChI=1S/C27H30N2O.BrH/c1-18(27-13-19-10-20(14-27)12-21(11-19)15-27)28-26(30)17-29-16-22-6-2-3-7-23(22)24-8-4-5-9-25(24)29;/h2-9,16,18-21H,10-15,17H2,1H3;1H/t18?,19-,20+,21-,27-;
InChIKey OTKIGWGMIKAUSL-GKCTUHGXSA-N
Mol Weight 479.46 g/mol
Molecular Formula C27H31BrN2O
Exact Mass 478.161977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au13Cw3JehO
Name 5-({N-[1-(1'-Adamantyl)ethyl]carbamoyl}methyl)phenanthridinium bromide
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Formula C27H31BrN2O
InChI InChI=1S/C27H30N2O.BrH/c1-18(27-13-19-10-20(14-27)12-21(11-19)15-27)28-26(30)17-29-16-22-6-2-3-7-23(22)24-8-4-5-9-25(24)29;/h2-9,16,18-21H,10-15,17H2,1H3;1H/t18?,19-,20+,21-,27-;
InChIKey OTKIGWGMIKAUSL-GKCTUHGXSA-N
Molecular Weight 479.462 g/mol
SMILES [Br-].N(C(C[n+]1c2c(cccc2)c2c(c1)cccc2)=O)C(C12C[C@]3([H])C[C@](C2)(C[C@](C1)(C3)[H])[H])C
SPLASH splash10-004r-2920000000-a95cc6aefbdd1f598b1e
Source of Spectrum G-64-2001-2e
Synonyms N-[1-(1-adamantyl)ethyl]-2-(5-phenanthridin-5-iumyl)acetamide;bromide N-[1-(1-adamantyl)ethyl]-2-phenanthridin-5-ium-5-ylacetamide;bromide N-[1-(1-adamantyl)ethyl]-2-phenanthridin-5-ium-5-yl-ethanamide;bromide
Wiley ID 749555