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Deoxydihydrothebainone, cyclic ethylene acetal

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Deoxydihydrothebainone, cyclic ethylene acetal
SpectraBase Compound ID E5xGDZSqvab
InChI InChI=1S/C20H27NO3/c1-21-8-7-19-13-20(23-9-10-24-20)6-5-16(19)18(21)11-14-3-4-15(22-2)12-17(14)19/h3-4,12,16,18H,5-11,13H2,1-2H3/t16-,18+,19-/m0/s1
InChIKey YBAAMDKMCNQZGQ-UHOSZYNNSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1y4AF0pJLW5
Name Deoxydihydrothebainone, cyclic ethylene acetal
Comments Computed using HOSE algorithm
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Exact Mass 329.199093730 u
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-21-8-7-19-13-20(23-9-10-24-20)6-5-16(19)18(21)11-14-3-4-15(22-2)12-17(14)19/h3-4,12,16,18H,5-11,13H2,1-2H3/t16-,18+,19-/m0/s1
InChIKey YBAAMDKMCNQZGQ-UHOSZYNNSA-N
Molecular Weight 329.440 g/mol
SMILES C1OC2(OC1)CC[C@@]1([C@@]3(C4=C(C=CC(=C4)OC)C[C@]1(N(C)CC3)[H])C2)[H]