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N-(1-adamantyl)-2-(3,4-dichlorophenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-(1-adamantyl)-2-(3,4-dichlorophenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 8oHdNJROD76
InChI InChI=1S/C26H24Cl2N2O/c27-21-6-5-18(10-22(21)28)24-11-20(19-3-1-2-4-23(19)29-24)25(31)30-26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17H,7-9,12-14H2,(H,30,31)/t15-,16+,17-,26-
InChIKey CZKMIYJVASRWDN-OSZUOCJZSA-N
Mol Weight 451.4 g/mol
Molecular Formula C26H24Cl2N2O
Exact Mass 450.126569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lcIsOwGw6
Name N-(1-Adamantyl)-2-(3,4-dichlorophenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 450.126568800 u
Formula C26H24Cl2N2O
InChI InChI=1S/C26H24Cl2N2O/c27-21-6-5-18(10-22(21)28)24-11-20(19-3-1-2-4-23(19)29-24)25(31)30-26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17H,7-9,12-14H2,(H,30,31)/t15-,16+,17-,26-
InChIKey CZKMIYJVASRWDN-OSZUOCJZSA-N
Molecular Weight 451.397 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C=1C=C(C2=CC(Cl)=C(C=C2)Cl)N=C2C1C=CC=C2)=O