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2-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID GlCpxzlYpwh
InChI InChI=1S/C15H14FN/c16-14-5-7-15(8-6-14)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2
InChIKey DHNZSZPXVUCTQG-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C15H14FN
Exact Mass 227.111028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kjb4ief4Bpp
Name 2-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
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Exact Mass 227.111027618 u
Formula C15H14FN
InChI InChI=1S/C15H14FN/c16-14-5-7-15(8-6-14)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2
InChIKey DHNZSZPXVUCTQG-UHFFFAOYSA-N
Molecular Weight 227.282 g/mol
SMILES C1N(CCC=2C=CC=CC12)C=1C=CC(=CC1)F