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Fagaronine

View entire compound with spectra: 1 MS (GC)

Fagaronine
SpectraBase Compound ID 47K6LjrVFhD
InChI InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3
InChIKey OOKZVPUCASIEBL-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44NAyCIbWbR
Name Fagaronine
Alternate Name(s) 2-Hydroxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridinium; chloride 2-Hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridine
Comments Less than 3 mono-isotopic peaks
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Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3
InChIKey OOKZVPUCASIEBL-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES c12[n+](cc3c(c2ccc2c1cc(OC)c(c2)[O-])cc(c(c3)OC)OC)C
SPLASH splash10-000j-0009000000-d791256ee9fe612a9c30
Source of Spectrum AC-1994-721-1
Wiley ID 811804