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2-(2-(Trifluoromethyl)phenyl)adamantan-2-ol
SpectraBase Compound ID BMwrupUciXn
InChI InChI=1S/C17H19F3O/c18-17(19,20)15-4-2-1-3-14(15)16(21)12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,21H,5-9H2/t10-,11+,12-,13+,16-
InChIKey SZULUGZMHAQFCH-QXBYOMFKSA-N
Mol Weight 296.33 g/mol
Molecular Formula C17H19F3O
Exact Mass 296.1388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ROR6tc8FQN
Name 2-(2-(Trifluoromethyl)phenyl)adamantan-2-ol
Appearance Colorless crystals
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Formula C17H19F3O
InChI InChI=1S/C17H19F3O/c18-17(19,20)15-4-2-1-3-14(15)16(21)12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,21H,5-9H2/t10-,11+,12-,13+,16-
InChIKey SZULUGZMHAQFCH-QXBYOMFKSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202103031
Molecular Weight 296.333 g/mol
Reported Formula C17H19F3O
SMILES OC1(c2c(cccc2)C(F)(F)F)[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H]
SPLASH splash10-00gi-3930000000-e88b4fd5bde55a8fbfba
Source of Spectrum ACI-60-SM27-6df
Wiley ID 1882540