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Piperazin-1-yl(3-(trifluoromethyl)phenyl)methanone
SpectraBase Compound ID JjbT8hyIfk3
InChI InChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-2-9(8-10)11(18)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2
InChIKey DLUXDOKFRWDPBN-UHFFFAOYSA-N
Mol Weight 258.24 g/mol
Molecular Formula C12H13F3N2O
Exact Mass 258.097998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTPToW1LcCa
Name Piperazin-1-yl(3-(trifluoromethyl)phenyl)methanone
Comments Computed using HOSE algorithm
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Exact Mass 258.097997535 u
Formula C12H13F3N2O
InChI InChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-2-9(8-10)11(18)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2
InChIKey DLUXDOKFRWDPBN-UHFFFAOYSA-N
Molecular Weight 258.244 g/mol
SMILES C1(=CC=CC(=C1)C(=O)N1CCNCC1)C(F)(F)F