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Adamantan-1-carboxamide, N-propyl-N-heptyl-

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Adamantan-1-carboxamide, N-propyl-N-heptyl-
SpectraBase Compound ID 35XXZVhaabC
InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-10-22(9-4-2)20(23)21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,3-16H2,1-2H3/t17-,18+,19-,21-
InChIKey ITVFMHWJZGLKKW-YUNDZKQISA-N
Mol Weight 319.5 g/mol
Molecular Formula C21H37NO
Exact Mass 319.287515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmgNFfLN4YW
Name Adamantan-1-carboxamide, N-propyl-N-heptyl-
Comments Computed using HOSE algorithm
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Exact Mass 319.287514814 u
Formula C21H37NO
InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-10-22(9-4-2)20(23)21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,3-16H2,1-2H3/t17-,18+,19-,21-
InChIKey ITVFMHWJZGLKKW-YUNDZKQISA-N
Molecular Weight 319.533 g/mol
SMILES C(=O)(N(CCC)CCCCCCC)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]