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1-[.beta.-(N-Acetyl-N-methyl-amino)ethyl]-2,3,4-trimethoxy-6,7-(methylenedioxy)-phenanthrene
SpectraBase Compound ID EzFPoLP8goC
InChI InChI=1S/C23H25NO6/c1-13(25)24(2)9-8-16-15-7-6-14-10-18-19(30-12-29-18)11-17(14)20(15)22(27-4)23(28-5)21(16)26-3/h6-7,10-11H,8-9,12H2,1-5H3
InChIKey DEGKYJQUHXAMHS-UHFFFAOYSA-N
Mol Weight 411.45 g/mol
Molecular Formula C23H25NO6
Exact Mass 411.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9npTxhz4CUe
Name 1-[.beta.-(N-Acetyl-N-methyl-amino)ethyl]-2,3,4-trimethoxy-6,7-(methylenedioxy)-phenanthrene
Comments Computed using HOSE algorithm
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Exact Mass 411.168187523 u
Formula C23H25NO6
InChI InChI=1S/C23H25NO6/c1-13(25)24(2)9-8-16-15-7-6-14-10-18-19(30-12-29-18)11-17(14)20(15)22(27-4)23(28-5)21(16)26-3/h6-7,10-11H,8-9,12H2,1-5H3
InChIKey DEGKYJQUHXAMHS-UHFFFAOYSA-N
Molecular Weight 411.454 g/mol
SMILES C12=C(C(OC)=C(C(=C2C=CC=2C1=CC=1OCOC1C2)CCN(C(=O)C)C)OC)OC