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1-Adamantanecarboxylic acid, 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID 8n0oI9fEi95
InChI InChI=1S/C14H19F3O2/c1-8(14(15,16)17)19-12(18)13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3/t8?,9-,10+,11-,13-
InChIKey BUSWNDHERJXPHI-WEUORULESA-N
Mol Weight 276.3 g/mol
Molecular Formula C14H19F3O2
Exact Mass 276.133714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SgUjulrec0
Name 1-Adamantanecarboxylic acid, 1,1,1-trifluoroprop-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19F3O2
InChI InChI=1S/C14H19F3O2/c1-8(14(15,16)17)19-12(18)13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3/t8?,9-,10+,11-,13-
InChIKey BUSWNDHERJXPHI-WEUORULESA-N
Molecular Weight 276.299 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(OC(C)C(F)(F)F)=O
SPLASH splash10-000i-5900000000-6c983c806ab3cde02d4b
Source of Spectrum TIPS-2023-103-0
Wiley ID 1884811