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4-Oxoadamantane-1-carboxylic acid
SpectraBase Compound ID Aj8zmga8Gkh
InChI InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)/t6-,7-,8+,11-
InChIKey VFNJWHFPIRNNRQ-JBJIOVEBSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfouNpv5HE2
Name 4-Oxoadamantane-1-carboxylic acid
Alternate Name(s) 4-ketoadamantane-1-carboxylic acid 4-Oxidanylideneadamantane-1-carboxylic acid 4-Oxo-1-adamantanecarboxylic acid
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Formula C11H14O3
InChI InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)/t6-,7-,8+,11-
InChIKey VFNJWHFPIRNNRQ-JBJIOVEBSA-N
Molecular Weight 194.230 g/mol
SMILES OC(=O)[C@]12C[C@]3(C[C@@](C2)(C[C@](C3=O)(C1)[H])[H])[H]
SPLASH splash10-002f-9700000000-72d27a4907a22b40e409
Wiley ID 1440492