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Cyclopentanecarboxylic acid, 1-adamantylmethyl ester

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Cyclopentanecarboxylic acid, 1-adamantylmethyl ester
SpectraBase Compound ID 3b7q3OYpKWv
InChI InChI=1S/C17H26O2/c18-16(15-3-1-2-4-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2/t12-,13+,14-,17-
InChIKey DMTYPQBNIZDEED-ZZNDEYBLSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rLOzICsCFg
Name Cyclopentanecarboxylic acid, 1-adamantylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c18-16(15-3-1-2-4-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2/t12-,13+,14-,17-
InChIKey DMTYPQBNIZDEED-ZZNDEYBLSA-N
Molecular Weight 262.393 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)C1CCCC1)[H]