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Adamantane-1-carboxamide, N-(2-pentyl)-N-nonyl-

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Adamantane-1-carboxamide, N-(2-pentyl)-N-nonyl-
SpectraBase Compound ID L59Bu9qEjx0
InChI InChI=1S/C25H45NO/c1-4-6-7-8-9-10-11-13-26(20(3)12-5-2)24(27)25-17-21-14-22(18-25)16-23(15-21)19-25/h20-23H,4-19H2,1-3H3/t20?,21-,22+,23-,25-
InChIKey ZPCUJGALHVRQSS-VXYBSQBDSA-N
Mol Weight 375.6 g/mol
Molecular Formula C25H45NO
Exact Mass 375.350115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74qaVLfKPlK
Name Adamantane-1-carboxamide, N-(2-pentyl)-N-nonyl-
Comments Computed using HOSE algorithm
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Exact Mass 375.350115072 u
Formula C25H45NO
InChI InChI=1S/C25H45NO/c1-4-6-7-8-9-10-11-13-26(20(3)12-5-2)24(27)25-17-21-14-22(18-25)16-23(15-21)19-25/h20-23H,4-19H2,1-3H3/t20?,21-,22+,23-,25-
InChIKey ZPCUJGALHVRQSS-VXYBSQBDSA-N
Molecular Weight 375.641 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(C(C)CCC)CCCCCCCCC)=O