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p-Decyl-.alpha.-.alpha.-.alpha.-trifluoroacetophenone
SpectraBase Compound ID EG2Au63hgeC
InChI InChI=1S/C18H25F3O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(22)18(19,20)21/h11-14H,2-10H2,1H3
InChIKey GJNWUVBDBVUZKP-UHFFFAOYSA-N
Mol Weight 314.39 g/mol
Molecular Formula C18H25F3O
Exact Mass 314.18575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80Q3DCH1MgY
Name p-Decyl-.alpha.-.alpha.-.alpha.-trifluoroacetophenone
Comments Computed using HOSE algorithm
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Exact Mass 314.185749913 u
Formula C18H25F3O
InChI InChI=1S/C18H25F3O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(22)18(19,20)21/h11-14H,2-10H2,1H3
InChIKey GJNWUVBDBVUZKP-UHFFFAOYSA-N
Molecular Weight 314.392 g/mol
SMILES C1=C(C=CC(=C1)CCCCCCCCCC)C(=O)C(F)(F)F