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4-(1-Adamantanoyloxy)methylquinoline

View entire compound with spectra: 1 NMR

4-(1-Adamantanoyloxy)methylquinoline
SpectraBase Compound ID EQSGTEwOSny
InChI InChI=1S/C21H23NO2/c1-13-6-19(17-4-2-3-5-18(17)22-13)24-20(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3/t14-,15+,16-,21-
InChIKey FBFBJTDIPXPJQH-OFIQSVQDSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSIV4CkkAdq
Name 4-(1-Adamantanoyloxy)methylquinoline
Comments Computed using HOSE algorithm
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Exact Mass 321.172878983 u
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-13-6-19(17-4-2-3-5-18(17)22-13)24-20(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3/t14-,15+,16-,21-
InChIKey FBFBJTDIPXPJQH-OFIQSVQDSA-N
Molecular Weight 321.420 g/mol
SMILES C(=O)(OC=1C=2C=CC=CC2N=C(C)C1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]