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ACN
SpectraBase Compound ID 1hLLv5wP12b
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(2,24)17-6-8-21-18-5-4-15(23)11-16(17)18/h3-6,8,11,14,19,23-24H,7,9-10,12H2,1-2H3/b13-3-/t14-,19+,20?/m1/s1
InChIKey LMDQXMRKIRUSRK-FEOJVAKVSA-N
Mol Weight 324.42 g/mol
Molecular Formula C20H24N2O2
Exact Mass 324.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeW8pwMa4we
Name ACN
Alternate Name(s) (3E)-9-methyl-3,10-didehydro-10,11-dihydrocinchonan-6',9-diol (Z)-Apocinchonine
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Formula C20H24N2O2
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(2,24)17-6-8-21-18-5-4-15(23)11-16(17)18/h3-6,8,11,14,19,23-24H,7,9-10,12H2,1-2H3/b13-3-/t14-,19+,20?/m1/s1
InChIKey LMDQXMRKIRUSRK-FEOJVAKVSA-N
Molecular Weight 324.424 g/mol
SMILES Oc1ccc2c(c(C([C@]3(N4C\C(=C\C)[C@](CC4)(C3)[H])[H])(O)C)ccn2)c1
SPLASH splash10-000i-0920000000-f412161f93d1e46670dc
Source of Spectrum O-35-713-15
Wiley ID 763548