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2-Adamant-1-yl-2,2-difluoroacetic acid
SpectraBase Compound ID 6hcNDRQeAxA
InChI InChI=1S/C12H16F2O2/c13-12(14,10(15)16)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,15,16)/t7-,8+,9-,11-
InChIKey XKAQBLGZMQGRTJ-KJZNFTALSA-N
Mol Weight 230.25 g/mol
Molecular Formula C12H16F2O2
Exact Mass 230.111836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bzc2NWCAtwp
Name 2-Adamant-1-yl-2,2-difluoroacetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H16F2O2
InChI InChI=1S/C12H16F2O2/c13-12(14,10(15)16)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,15,16)/t7-,8+,9-,11-
InChIKey XKAQBLGZMQGRTJ-KJZNFTALSA-N
Molecular Weight 230.255 g/mol
SMILES OC(C(F)(F)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])=O
SPLASH splash10-000i-0900000000-faecf7e2f209e0a9b283
Source of Spectrum F-51-1915-14
Synonyms 1-adamantyl(difluoro)acetic acid
Wiley ID 790837