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Trichloroacetic acid, 2-(1-adamantyl)ethyl ester

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Trichloroacetic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID I2aAnJAte6q
InChI InChI=1S/C14H19Cl3O2/c15-14(16,17)12(18)19-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2/t9-,10+,11-,13+
InChIKey XIAOWHRRNRGKPT-UPFUWZEBSA-N
Mol Weight 325.66 g/mol
Molecular Formula C14H19Cl3O2
Exact Mass 324.045063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pfEPsNCAPI
Name Trichloroacetic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.045062950 u
Formula C14H19Cl3O2
InChI InChI=1S/C14H19Cl3O2/c15-14(16,17)12(18)19-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2/t9-,10+,11-,13+
InChIKey XIAOWHRRNRGKPT-UPFUWZEBSA-N
Molecular Weight 325.663 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(C(Cl)(Cl)Cl)=O)[H]