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Adamantane-1-acetic acid methyl ester
SpectraBase Compound ID DTzxxeGHu27
InChI InChI=1S/C13H20O2/c1-15-12(14)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3/t9-,10+,11-,13-
InChIKey MZIVXJGBKLZCKF-DNSLJTBWSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU8G5pUKvAd
Name adamantane-1-ethanoic acid methyl ester
Alternate Name(s) Methyl 2-((3r,5r,7r)-adamantan-1-yl)acetate
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Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-15-12(14)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3/t9-,10+,11-,13-
InChIKey MZIVXJGBKLZCKF-DNSLJTBWSA-N
Literature Reference DOI 10.1002/rcm.5153
Molecular Weight 208.301 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)CC(=O)OC)[H])[H])[H]
SPLASH splash10-000l-9700000000-38963ca055cf045ae11e
Source of Spectrum RCM-25-2575-Fig.3(B)
Wiley ID 1814728