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tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-cyclooctyl-
SpectraBase Compound ID EsqOEbIM9cZ
InChI InChI=1S/C19H31NO/c21-18(20-17-6-4-2-1-3-5-7-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,1-13H2,(H,20,21)/t14-,15+,16-,19-
InChIKey MEWUVHNPLZLEQR-HGYGSNGRSA-N
Mol Weight 289.46 g/mol
Molecular Formula C19H31NO
Exact Mass 289.240565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bp3MRPqUCzL
Name Tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-cyclooctyl-
Comments Computed using HOSE algorithm
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Exact Mass 289.240564621 u
Formula C19H31NO
InChI InChI=1S/C19H31NO/c21-18(20-17-6-4-2-1-3-5-7-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,1-13H2,(H,20,21)/t14-,15+,16-,19-
InChIKey MEWUVHNPLZLEQR-HGYGSNGRSA-N
Molecular Weight 289.463 g/mol
SMILES N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C1CCCCCCC1