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3,5-Dimethoxy-8-[2-(prop-2-enylamino)ethyl]phenanthrene-2,6-diol
SpectraBase Compound ID 4vjtTTZCijW
InChI InChI=1S/C21H23NO4/c1-4-8-22-9-7-14-11-18(24)21(26-3)20-15(14)6-5-13-10-17(23)19(25-2)12-16(13)20/h4-6,10-12,22-24H,1,7-9H2,2-3H3
InChIKey GKUVJGINPMAJCO-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGorqgSO2dv
Name 3,5-Dimethoxy-8-[2-(prop-2-enylamino)ethyl]phenanthrene-2,6-diol
Comments Computed using HOSE algorithm
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Exact Mass 353.162708221 u
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-4-8-22-9-7-14-11-18(24)21(26-3)20-15(14)6-5-13-10-17(23)19(25-2)12-16(13)20/h4-6,10-12,22-24H,1,7-9H2,2-3H3
InChIKey GKUVJGINPMAJCO-UHFFFAOYSA-N
Molecular Weight 353.418 g/mol
SMILES C1=2C3=CC(OC)=C(C=C3C=CC1=C(CCNCC=C)C=C(C2OC)O)O