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1-BENZYLQUININIUM CHLORIDE
SpectraBase Compound ID 95WNiz8V4LJ
InChI InChI=1S/C27H31N2O2.ClH/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25;/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3;1H/q+1;/p-1/t20-,21-,26-,27+,29+;/m0./s1
InChIKey JYDIJFKNXHPWBJ-GOGFHWEMSA-M
Mol Weight 451.01 g/mol
Molecular Formula C27H31ClN2O2
Exact Mass 450.207406 g/mol
Parent InChIKey ZWXVYWVIUDLPJE-IQHBAXJHSA-M
Enantiomer InChIKey JYDIJFKNXHPWBJ-PNJMJQASSA-M
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