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YBHILYKTIRIUTE-UHFFFAOYSA-N
SpectraBase Compound ID 1WJcSOw9Lka
InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChIKey YBHILYKTIRIUTE-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C20H18NO4
Exact Mass 336.123583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JYfo8HvS2g
Name Berberine
Alternate Name(s) 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
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Formula C20H18NO4
InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChIKey YBHILYKTIRIUTE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400068
Molecular Weight 336.367 g/mol
SMILES c1c-2c(cc3c1OCO3)CC[n+]1c2cc2c(c1)c(c(cc2)OC)OC
SPLASH splash10-00bc-0295000000-70e1602974de4d14c43b
Source of Spectrum QA-51-446-4
Wiley ID 1795939