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Morphin-4-ol-6-one, N-methyl-4-o-[6-pyridyl]-
SpectraBase Compound ID HgNzKPUYKPV
InChI InChI=1S/C22H24N2O2/c1-24-12-10-22-14-16(25)8-9-17(22)18(24)13-15-5-4-6-19(21(15)22)26-20-7-2-3-11-23-20/h2-7,11,17-18H,8-10,12-14H2,1H3/t17?,18-,22+/m1/s1
InChIKey NIVORWDCASGGEZ-CZCIXBEGSA-N
Mol Weight 348.45 g/mol
Molecular Formula C22H24N2O2
Exact Mass 348.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ca5TfO4V6G6
Name Morphin-4-ol-6-one, N-methyl-4-o-[6-pyridyl]-
Comments Computed using HOSE algorithm
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Exact Mass 348.183778019 u
Formula C22H24N2O2
InChI InChI=1S/C22H24N2O2/c1-24-12-10-22-14-16(25)8-9-17(22)18(24)13-15-5-4-6-19(21(15)22)26-20-7-2-3-11-23-20/h2-7,11,17-18H,8-10,12-14H2,1H3/t17?,18-,22+/m1/s1
InChIKey NIVORWDCASGGEZ-CZCIXBEGSA-N
Molecular Weight 348.446 g/mol
SMILES C1(=C2C(=CC=C1)C[C@@]1(C3[C@@]2(CC(CC3)=O)CCN1C)[H])OC1=CC=CC=N1