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(Z)-3,10-Didehydro-10,11-dihydroquinine[(Z)-.delta.(3,10)-isoquinine]

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(Z)-3,10-Didehydro-10,11-dihydroquinine[(Z)-.delta.(3,10)-isoquinine]
SpectraBase Compound ID JlrdoMOQoop
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,14,19-20,23H,7,9-10,12H2,1-2H3/b13-3+/t14?,19?,20-/m1/s1
InChIKey DTEXULLZKFAGHZ-JJRMNFIWSA-N
Mol Weight 324.42 g/mol
Molecular Formula C20H24N2O2
Exact Mass 324.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1AddLeEZkk
Name (Z)-3,10-Didehydro-10,11-dihydroquinine[(Z)-.delta.(3,10)-isoquinine]
Comments Computed using HOSE algorithm
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Exact Mass 324.183778019 u
Formula C20H24N2O2
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,14,19-20,23H,7,9-10,12H2,1-2H3/b13-3+/t14?,19?,20-/m1/s1
InChIKey DTEXULLZKFAGHZ-JJRMNFIWSA-N
Molecular Weight 324.424 g/mol
SMILES C1(N2CCC(C1)\C(C2)=C\C)[C@@](C=1C=2C(=CC=C(C2)OC)N=CC1)(O)[H]