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Methyl adamantane-2-carboxylate
SpectraBase Compound ID Bt4BmZNGylL
InChI InChI=1S/C12H18O2/c1-14-12(13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3/t7-,8+,9-,10+,11?
InChIKey IRGQVHHWSAJAFS-XICIVTQQSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwSaRTKbJfC
Name Methyl adamantane-2-carboxylate
Alternate Name(s) 2-Adamantanecarboxylic acid methyl ester Adamantane-2-carboxylic acid methyl ester Methyl tricyclo[3.3.1.1(3,7)]decane-2-carboxylate (1r,3r,5r,7r)-methyl adamantane-2-carboxylate
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-14-12(13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3/t7-,8+,9-,10+,11?
InChIKey IRGQVHHWSAJAFS-XICIVTQQSA-N
Molecular Weight 194.274 g/mol
SMILES [C@]12(C([C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])[H])[H])C(=O)OC)[H]
SPLASH splash10-0006-9600000000-990c8df3cf12d2137479
Source of Spectrum KC-0-2792-18
Wiley ID 822476