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Adamantane-1-carboxamide, N-[2-(3,4-dimethylphenoxy)ethyl]-

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Adamantane-1-carboxamide, N-[2-(3,4-dimethylphenoxy)ethyl]-
SpectraBase Compound ID 4NNovptCu6Z
InChI InChI=1S/C21H29NO2/c1-14-3-4-19(7-15(14)2)24-6-5-22-20(23)21-11-16-8-17(12-21)10-18(9-16)13-21/h3-4,7,16-18H,5-6,8-13H2,1-2H3,(H,22,23)/t16-,17+,18-,21-
InChIKey KLPKQXHAYKJJBR-KCPQFBADSA-N
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Dpet1pegmm
Name Adamantane-1-carboxamide, N-[2-(3,4-dimethylphenoxy)ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 327.219829176 u
Formula C21H29NO2
InChI InChI=1S/C21H29NO2/c1-14-3-4-19(7-15(14)2)24-6-5-22-20(23)21-11-16-8-17(12-21)10-18(9-16)13-21/h3-4,7,16-18H,5-6,8-13H2,1-2H3,(H,22,23)/t16-,17+,18-,21-
InChIKey KLPKQXHAYKJJBR-KCPQFBADSA-N
Molecular Weight 327.468 g/mol
SMILES C12(C(=O)NCCOC=3C=C(C)C(=CC3)C)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]