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3,5-dimethyl-1-adamantaneacetic acid
SpectraBase Compound ID mBKxTRZhlx
InChI InChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)/t10-,12+,13-,14-
InChIKey FUOXJVUIQUYDDI-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 IpskSiPr3bA
Name (3,5-dimethyl-1-adamantyl)acetic acid
Alternate Name(s) 2-(3,5-dimethyl-1-adamantyl)acetic acid 2-(3,5-dimethyl-1-adamantyl)ethanoic acid
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)/t10-,12+,13-,14-
InChIKey FUOXJVUIQUYDDI-OPAWKCGKSA-N
Molecular Weight 222.328 g/mol
SMILES OC(C[C@]12C[C@]3(C)C[C@@](C2)(C[C@](C1)(C3)C)[H])=O
SPLASH splash10-08fr-0910000000-c5fe9b39e4235c9ba140
Source of Spectrum IC-580-0-0
Wiley ID 1222864