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N-{(S)-[Cyclohexan-(S)-2-ol]}-(R)-.alpha.-methylbenzyl amine
SpectraBase Compound ID 9NqauRif9zL
InChI InChI=1S/C14H21NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16/h2-4,7-8,11,13-16H,5-6,9-10H2,1H3/t11-,13+,14+/m1/s1
InChIKey NYCFBNYPXMBDES-XBFCOCLRSA-N
Mol Weight 219.33 g/mol
Molecular Formula C14H21NO
Exact Mass 219.162314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bVkDaIc5v7
Name N-{(S)-[Cyclohexan-(S)-2-ol]}-(R)-.alpha.-methylbenzyl amine
Comments Computed using HOSE algorithm
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Exact Mass 219.162314299 u
Formula C14H21NO
InChI InChI=1S/C14H21NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16/h2-4,7-8,11,13-16H,5-6,9-10H2,1H3/t11-,13+,14+/m1/s1
InChIKey NYCFBNYPXMBDES-XBFCOCLRSA-N
Molecular Weight 219.328 g/mol
SMILES [C@]1(N[C@@](C2=CC=CC=C2)(C)[H])([C@@](O)(CCCC1)[H])[H]