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N-[1-(1-adamantyl)ethyl]urea
SpectraBase Compound ID K935CbHR0T
InChI InChI=1S/C13H22N2O/c1-8(15-12(14)16)13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3,(H3,14,15,16)/t8?,9-,10+,11-,13-
InChIKey NMBVEIZNXHUWAS-WEUORULESA-N
Mol Weight 222.33 g/mol
Molecular Formula C13H22N2O
Exact Mass 222.173213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhmjdyjiiSO
Name N-[1-(1-Adamantyl)ethyl]urea
Comments Computed using HOSE algorithm
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Exact Mass 222.173213335 u
Formula C13H22N2O
InChI InChI=1S/C13H22N2O/c1-8(15-12(14)16)13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3,(H3,14,15,16)/t8?,9-,10+,11-,13-
InChIKey NMBVEIZNXHUWAS-WEUORULESA-N
SMILES N(C(=O)N)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C