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HUNNEMANINE
SpectraBase Compound ID B8LvI579jSE
InChI InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3
InChIKey RSMSJQDBPYSXHH-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnAiTtezWWC
Name Hunnemannine
Alternate Name(s) 4-Hydroxy-3-methoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one
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Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3
InChIKey RSMSJQDBPYSXHH-UHFFFAOYSA-N
Molecular Weight 355.390 g/mol
SMILES Oc1c2c(CC(c3cc4OCOc4cc3CCN(C2)C)=O)ccc1OC
SPLASH splash10-0pbc-6950000000-db58f6ba0e84aaa5a9e9
Source of Spectrum CD-127-0-0
Wiley ID 1345265