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3-[4-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]-1-propanol
SpectraBase Compound ID GBxXuAfL7cn
InChI InChI=1S/C23H30N2O4/c1-23(2,3)29-22(27)25-11-10-20(25)16-28-21-13-19(14-24-15-21)18-8-6-17(7-9-18)5-4-12-26/h6-9,13-15,20,26H,4-5,10-12,16H2,1-3H3/t20-/m0/s1
InChIKey RCYQIYKUSGRWDF-FQEVSTJZSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MEvqvEdNCN
Name 3-[4-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]-1-propanol
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Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-23(2,3)29-22(27)25-11-10-20(25)16-28-21-13-19(14-24-15-21)18-8-6-17(7-9-18)5-4-12-26/h6-9,13-15,20,26H,4-5,10-12,16H2,1-3H3/t20-/m0/s1
InChIKey RCYQIYKUSGRWDF-FQEVSTJZSA-N
Ionization Type EI
Molecular Weight 398.503 g/mol
SMILES OCCCc1ccc(-c2cc(OC[C@@]3(CCN3C(OC(C)(C)C)=O)[H])cnc2)cc1
SPLASH splash10-0a4i-9120000000-11d9a175f9b8a956ab4d
Source of Spectrum US20100152450A1
Wiley ID 1842404