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5-[(N,N-Dicyclohexylcarbamoyl)methyl]phenanthridinium bromide
SpectraBase Compound ID D0vprD4hQIa
InChI InChI=1S/C27H33N2O.BrH/c30-27(29(22-12-3-1-4-13-22)23-14-5-2-6-15-23)20-28-19-21-11-7-8-16-24(21)25-17-9-10-18-26(25)28;/h7-11,16-19,22-23H,1-6,12-15,20H2;1H/q+1;/p-1
InChIKey BXYIRQZTZCDKGL-UHFFFAOYSA-M
Mol Weight 481.5 g/mol
Molecular Formula C27H33BrN2O
Exact Mass 480.177627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1p81RULcQm
Name 5-[(N,N-Dicyclohexylcarbamoyl)methyl]phenanthridinium bromide
Alternate Name(s) 5-[2-(dicyclohexylamino)-2-oxoethyl]phenanthridinium bromide
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Formula C27H33BrN2O
InChI InChI=1S/C27H33N2O.BrH/c30-27(29(22-12-3-1-4-13-22)23-14-5-2-6-15-23)20-28-19-21-11-7-8-16-24(21)25-17-9-10-18-26(25)28;/h7-11,16-19,22-23H,1-6,12-15,20H2;1H/q+1;/p-1
InChIKey BXYIRQZTZCDKGL-UHFFFAOYSA-M
Molecular Weight 481.478 g/mol
SMILES [Br-].c12[n+](cc3c(c2cccc1)cccc3)CC(N(C1CCCCC1)C1CCCCC1)=O
SPLASH splash10-0059-4910000000-5f1938a28211d23ce60d
Source of Spectrum G-64-2000-2
Wiley ID 749559