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1-Adamantanecarboxylic acid, dodecyl ester

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1-Adamantanecarboxylic acid, dodecyl ester
SpectraBase Compound ID KfbFYookg8J
InChI InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-22(24)23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3/t19-,20+,21-,23-
InChIKey IEIIVXJDBBBRKR-HOFYVFDJSA-N
Mol Weight 348.6 g/mol
Molecular Formula C23H40O2
Exact Mass 348.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrMnMpRgOAl
Name 1-Adamantanecarboxylic acid, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.302830526 u
Formula C23H40O2
InChI InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-22(24)23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3/t19-,20+,21-,23-
InChIKey IEIIVXJDBBBRKR-HOFYVFDJSA-N
Molecular Weight 348.571 g/mol
SMILES CCCCCCCCCCCCOC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]