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seco-cularidine

View entire compound with spectra: 1 MS (GC)

seco-cularidine
SpectraBase Compound ID H0XL7j9zkk8
InChI InChI=1S/C20H23NO4/c1-21(2)10-9-13-6-8-16(22)20-15(13)7-5-14-11-18(23-3)19(24-4)12-17(14)25-20/h5-8,11-12,22H,9-10H2,1-4H3
InChIKey DBGGUODEECPLSS-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XOIrthykL2
Name seco-cularidine
Alternate Name(s) 7-[2-(dimethylamino)ethyl]-2,3-dimethoxy-10-benzo[b][1]benzoxepinol 7-[2-(dimethylamino)ethyl]-2,3-dimethoxybenzo[b][1]benzoxepin-10-ol
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Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-21(2)10-9-13-6-8-16(22)20-15(13)7-5-14-11-18(23-3)19(24-4)12-17(14)25-20/h5-8,11-12,22H,9-10H2,1-4H3
InChIKey DBGGUODEECPLSS-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES Oc1c2Oc3cc(OC)c(cc3C=Cc2c(CCN(C)C)cc1)OC
SPLASH splash10-0a4i-9000000000-0f22c814236d5ce809bb
Source of Spectrum X2-47-766-41
Wiley ID 1601496