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1-Adamantanecarboxylic acid, 1-cyclopentylethyl ester
SpectraBase Compound ID 5oRvt5Xd8rQ
InChI InChI=1S/C18H28O2/c1-12(16-4-2-3-5-16)20-17(19)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-16H,2-11H2,1H3/t12?,13-,14+,15-,18-
InChIKey BURRFGDWEAFZRW-ZNDYJMPUSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fhm9v8QCoh1
Name 1-Adamantanecarboxylic acid, 1-cyclopentylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-12(16-4-2-3-5-16)20-17(19)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-16H,2-11H2,1H3/t12?,13-,14+,15-,18-
InChIKey BURRFGDWEAFZRW-ZNDYJMPUSA-N
Molecular Weight 276.420 g/mol
SMILES C1CCCC1C(OC(C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O)C