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2-(3-hydroxy-1-adamantyl)acetic acid methyl ester
SpectraBase Compound ID JA9Qy7DHJTC
InChI InChI=1S/C13H20O3/c1-16-11(14)7-12-3-9-2-10(4-12)6-13(15,5-9)8-12/h9-10,15H,2-8H2,1H3/t9-,10+,12-,13-
InChIKey RDTPBYXLOMZLMK-ORGJANLZSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4INgBqbDns
Name 2-(3-hydroxy-1-adamantyl)acetic acid methyl ester
Alternate Name(s) Methyl 2-(3-hydroxy-1-adamantyl)acetate Methyl 2-(3-oxidanyl-1-adamantyl)ethanoate
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-16-11(14)7-12-3-9-2-10(4-12)6-13(15,5-9)8-12/h9-10,15H,2-8H2,1H3/t9-,10+,12-,13-
InChIKey RDTPBYXLOMZLMK-ORGJANLZSA-N
Molecular Weight 224.300 g/mol
SMILES O[C@]12C[C@@]3(CC(=O)OC)C[C@@](C2)(C[C@](C3)(C1)[H])[H]
SPLASH splash10-0q29-3920000000-e030528fbc0ebeab52ce
Source of Spectrum KC-1976-2580-0
Wiley ID 1225268