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3-Methyladamantane-1-ethanoic acid methyl ester
SpectraBase Compound ID 6FqrTGKRngn
InChI InChI=1S/C14H22O2/c1-13-4-10-3-11(5-13)7-14(6-10,9-13)8-12(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11+,13-,14+
InChIKey JSPHGIGQBLAJDY-WVKUQDAKSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPF2iv7Jif5
Name 3-Methyladamantane-1-ethanoic acid methyl ester
Alternate Name(s) Methyl 2-((1s,3s,5R,7S)-3-methyladamantan-1-yl)acetate
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-13-4-10-3-11(5-13)7-14(6-10,9-13)8-12(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11+,13-,14+
InChIKey JSPHGIGQBLAJDY-WVKUQDAKSA-N
Literature Reference DOI 10.1002/rcm.5153
Molecular Weight 222.328 g/mol
SMILES C1[C@@]2(C[C@]3(C[C@]1(C[C@@](C2)(C3)CC(=O)OC)[H])C)[H]
SPLASH splash10-052e-7900000000-aba540959e5579c522e4
Source of Spectrum RCM-25-2575-Fig.3(C)
Wiley ID 1814729