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Glutaric acid, monoamide, N-(1-adamantyl)-, isohexyl ester

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Glutaric acid, monoamide, N-(1-adamantyl)-, isohexyl ester
SpectraBase Compound ID LnVRKxGYF5O
InChI InChI=1S/C21H35NO3/c1-15(2)5-4-8-25-20(24)7-3-6-19(23)22-21-12-16-9-17(13-21)11-18(10-16)14-21/h15-18H,3-14H2,1-2H3,(H,22,23)/t16-,17+,18-,21-
InChIKey LATJHADXTYAOIH-KCPQFBADSA-N
Mol Weight 349.5 g/mol
Molecular Formula C21H35NO3
Exact Mass 349.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdYfB0ViLj7
Name Glutaric acid, monoamide, N-(1-adamantyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.261693988 u
Formula C21H35NO3
InChI InChI=1S/C21H35NO3/c1-15(2)5-4-8-25-20(24)7-3-6-19(23)22-21-12-16-9-17(13-21)11-18(10-16)14-21/h15-18H,3-14H2,1-2H3,(H,22,23)/t16-,17+,18-,21-
InChIKey LATJHADXTYAOIH-KCPQFBADSA-N
Molecular Weight 349.515 g/mol
SMILES CC(C)CCCOC(CCCC(NC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)=O