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N-(trifluoroacetyl)-.beta.-methyl-10,11-dihydrodibenzo[b,f]azepine-5-propanamine

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N-(trifluoroacetyl)-.beta.-methyl-10,11-dihydrodibenzo[b,f]azepine-5-propanamine
SpectraBase Compound ID 9fvaWBfjQ1x
InChI InChI=1S/C20H21F3N2O/c1-14(12-24-19(26)20(21,22)23)13-25-17-8-4-2-6-15(17)10-11-16-7-3-5-9-18(16)25/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKey RLMAEZPFUXHSGK-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C20H21F3N2O
Exact Mass 362.160598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKEAxdltliR
Name N-(Trifluoroacetyl)-.beta.-methyl-10,11-dihydrodibenzo[B,F]azepine-5-propanamine
Comments Computed using HOSE algorithm
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Exact Mass 362.160597792 u
Formula C20H21F3N2O
InChI InChI=1S/C20H21F3N2O/c1-14(12-24-19(26)20(21,22)23)13-25-17-8-4-2-6-15(17)10-11-16-7-3-5-9-18(16)25/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKey RLMAEZPFUXHSGK-UHFFFAOYSA-N
Molecular Weight 362.396 g/mol
SMILES C=12N(C=3C(CCC2=CC=CC1)=CC=CC3)CC(CNC(C(F)(F)F)=O)C