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3',4'-Dimethoxy-7-phenylheptylamine, pfp

View entire compound with spectra: 1 NMR, and 1 FTIR

3',4'-Dimethoxy-7-phenylheptylamine, pfp
SpectraBase Compound ID 6bcXYvJEhPo
InChI InChI=1S/C18H24F5NO3/c1-26-14-10-9-13(12-15(14)27-2)8-6-4-3-5-7-11-24-16(25)17(19,20)18(21,22)23/h9-10,12H,3-8,11H2,1-2H3,(H,24,25)
InChIKey SZNJUDWSWPWMOR-UHFFFAOYSA-N
Mol Weight 397.39 g/mol
Molecular Formula C18H24F5NO3
Exact Mass 397.167634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABXaiDASS3D
Name 3',4'-Dimethoxy-7-phenylheptylamine, pfp
Comments Computed using HOSE algorithm
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Exact Mass 397.167634449 u
Formula C18H24F5NO3
InChI InChI=1S/C18H24F5NO3/c1-26-14-10-9-13(12-15(14)27-2)8-6-4-3-5-7-11-24-16(25)17(19,20)18(21,22)23/h9-10,12H,3-8,11H2,1-2H3,(H,24,25)
InChIKey SZNJUDWSWPWMOR-UHFFFAOYSA-N
Molecular Weight 397.386 g/mol
SMILES C1(=CC(=CC=C1OC)CCCCCCCNC(=O)C(F)(F)C(F)(F)F)OC