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N-(2,4-dimethoxybenzyl)-1-adamantanamine

View entire compound with spectra: 2 NMR

N-(2,4-dimethoxybenzyl)-1-adamantanamine
SpectraBase Compound ID 7R9OQEtYLLP
InChI InChI=1S/C19H27NO2/c1-21-17-4-3-16(18(8-17)22-2)12-20-19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,13-15,20H,5-7,9-12H2,1-2H3/t13-,14+,15-,19-
InChIKey HLSKPCVYSFFZDO-CSVIQDERSA-N
Mol Weight 301.43 g/mol
Molecular Formula C19H27NO2
Exact Mass 301.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BumMsRXUz1y
Name N-(2,4-Dimethoxybenzyl)-1-adamantanamine
Comments Computed using HOSE algorithm
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Exact Mass 301.204179111 u
Formula C19H27NO2
InChI InChI=1S/C19H27NO2/c1-21-17-4-3-16(18(8-17)22-2)12-20-19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,13-15,20H,5-7,9-12H2,1-2H3/t13-,14+,15-,19-
InChIKey HLSKPCVYSFFZDO-CSVIQDERSA-N
Molecular Weight 301.430 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CC=1C(=CC(=CC1)OC)OC