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3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID 5V6tLPqRS33
InChI InChI=1S/C20H32O2/c21-19(6-5-15-3-1-2-4-15)22-8-7-20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,1-14H2/t16-,17+,18-,20+
InChIKey YYNSVXZFHKVVBJ-LAGDQHSMSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Wt9SxrIUY
Name 3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c21-19(6-5-15-3-1-2-4-15)22-8-7-20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,1-14H2/t16-,17+,18-,20+
InChIKey YYNSVXZFHKVVBJ-LAGDQHSMSA-N
Molecular Weight 304.474 g/mol
SMILES C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)CCC1CCCC1