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

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2,2-Dimethylpropanoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID IHpzgmApVNl
InChI InChI=1S/C17H28O2/c1-16(2,3)15(18)19-5-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,4-11H2,1-3H3/t12-,13+,14-,17+
InChIKey HOUPGUXYSFCRFS-DNRSYURNSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9WKBeR3ie7
Name 2,2-Dimethylpropanoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 264.208930140 u
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-16(2,3)15(18)19-5-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,4-11H2,1-3H3/t12-,13+,14-,17+
InChIKey HOUPGUXYSFCRFS-DNRSYURNSA-N
Molecular Weight 264.409 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(C(C)(C)C)=O)[H]