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Rauhimbin, N,o-dimethyl-
SpectraBase Compound ID IfJYJYkPFpB
InChI InChI=1S/C23H30N2O3/c1-24-18-7-5-4-6-15(18)16-10-11-25-13-14-8-9-20(27-2)21(23(26)28-3)17(14)12-19(25)22(16)24/h4-7,14,17,19-21H,8-13H2,1-3H3/t14-,17-,19-,20-,21-/m0/s1
InChIKey OQMJBLOXUWCDAQ-NUCDUYEVSA-N
Mol Weight 382.5 g/mol
Molecular Formula C23H30N2O3
Exact Mass 382.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOXFrjvSVEu
Name Rauhimbin, N,o-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 382.225642831 u
Formula C23H30N2O3
InChI InChI=1S/C23H30N2O3/c1-24-18-7-5-4-6-15(18)16-10-11-25-13-14-8-9-20(27-2)21(23(26)28-3)17(14)12-19(25)22(16)24/h4-7,14,17,19-21H,8-13H2,1-3H3/t14-,17-,19-,20-,21-/m0/s1
InChIKey OQMJBLOXUWCDAQ-NUCDUYEVSA-N
Molecular Weight 382.504 g/mol
SMILES C12=C(C3=CC=CC=C3N2C)CCN2[C@]1(C[C@@]1([C@](C(=O)OC)([C@](CC[C@@]1([H])C2)(OC)[H])[H])[H])[H]