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3,5-Dimethyladamantane-1-carboxylic acid methyl ester
SpectraBase Compound ID 7AOgyAMoIgF
InChI InChI=1S/C14H22O2/c1-12-4-10-5-13(2,7-12)9-14(6-10,8-12)11(15)16-3/h10H,4-9H2,1-3H3/t10-,12+,13-,14-
InChIKey KKHBYYBTKDEXEI-OPAWKCGKSA-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 LuvXWz1B6kl
Name 3,5-Dimethyladamantane-1-carboxylic acid methyl ester
Alternate Name(s) Methyl (1r,3R,5S,7r)-3,5-dimethyladamantane-1-carboxylate
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-12-4-10-5-13(2,7-12)9-14(6-10,8-12)11(15)16-3/h10H,4-9H2,1-3H3/t10-,12+,13-,14-
InChIKey KKHBYYBTKDEXEI-OPAWKCGKSA-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)C(OC)=O)[H])C)C
SPLASH splash10-08fr-3900000000-457cd0f80a0d918c50cf
Source of Spectrum RCM-25-2575-Fig.3(D)
Wiley ID 1814730