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2-(2-[4-(Benzyloxy)phenyl]ethyl)hexahydro-2H-isoxazolo[2,3-a]pyridine
SpectraBase Compound ID Ij4e2iKNiy3
InChI InChI=1S/C22H27NO2/c1-2-6-19(7-3-1)17-24-21-12-9-18(10-13-21)11-14-22-16-20-8-4-5-15-23(20)25-22/h1-3,6-7,9-10,12-13,20,22H,4-5,8,11,14-17H2/t20-,22-/m1/s1
InChIKey FVQXZDIUKOZKIN-IFMALSPDSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaQDuRHhvNP
Name 2-(2-[4-(Benzyloxy)phenyl]ethyl)hexahydro-2H-isoxazolo[2,3-A]pyridine
Comments Computed using HOSE algorithm
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Exact Mass 337.204179111 u
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-2-6-19(7-3-1)17-24-21-12-9-18(10-13-21)11-14-22-16-20-8-4-5-15-23(20)25-22/h1-3,6-7,9-10,12-13,20,22H,4-5,8,11,14-17H2/t20-,22-/m1/s1
InChIKey FVQXZDIUKOZKIN-IFMALSPDSA-N
Molecular Weight 337.463 g/mol
SMILES [C@]12(N(O[C@@](C2)(CCC2=CC=C(OCC3=CC=CC=C3)C=C2)[H])CCCC1)[H]