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Cyclopentanecarboxylic acid, 2-adamantyl ester

View entire compound with spectra: 1 NMR

Cyclopentanecarboxylic acid, 2-adamantyl ester
SpectraBase Compound ID 5Qq1DLlcYwD
InChI InChI=1S/C16H24O2/c17-16(12-3-1-2-4-12)18-15-13-6-10-5-11(8-13)9-14(15)7-10/h10-15H,1-9H2/t10-,11+,13-,14+,15-
InChIKey ABGCQJNDDLHDPQ-BWZRYHSUSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbGEqQWt9xX
Name Cyclopentanecarboxylic acid, 2-adamantyl ester
Comments Computed using HOSE algorithm
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Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c17-16(12-3-1-2-4-12)18-15-13-6-10-5-11(8-13)9-14(15)7-10/h10-15H,1-9H2/t10-,11+,13-,14+,15-
InChIKey ABGCQJNDDLHDPQ-BWZRYHSUSA-N
Molecular Weight 248.366 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2OC(=O)C2CCCC2)(C[C@](C1)(C3)[H])[H])[H])[H]