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3-N-Butyl-5-[2-[4-chlorophenyl]-6,8-dimethyl-4-quinolyl]-2-N-heptyloxazolidine
SpectraBase Compound ID 3S47xzek9M4
InChI InChI=1S/C31H41ClN2O/c1-5-7-9-10-11-12-30-34(17-8-6-2)21-29(35-30)26-20-28(24-13-15-25(32)16-14-24)33-31-23(4)18-22(3)19-27(26)31/h13-16,18-20,29-30H,5-12,17,21H2,1-4H3
InChIKey KHFCCSRLETZSIK-UHFFFAOYSA-N
Mol Weight 493.1 g/mol
Molecular Formula C31H41ClN2O
Exact Mass 492.290742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7V0uXVKBspV
Name 3-N-Butyl-5-[2-[4-chlorophenyl]-6,8-dimethyl-4-quinolyl]-2-N-heptyloxazolidine
Comments Computed using HOSE algorithm
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Exact Mass 492.290741647 u
Formula C31H41ClN2O
InChI InChI=1S/C31H41ClN2O/c1-5-7-9-10-11-12-30-34(17-8-6-2)21-29(35-30)26-20-28(24-13-15-25(32)16-14-24)33-31-23(4)18-22(3)19-27(26)31/h13-16,18-20,29-30H,5-12,17,21H2,1-4H3
InChIKey KHFCCSRLETZSIK-UHFFFAOYSA-N
Molecular Weight 493.135 g/mol
SMILES C1=2C(=CC(=CC2C)C)C(=CC(=N1)C1=CC=C(C=C1)Cl)C1OC(N(CCCC)C1)CCCCCCC