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2-[3-[5-[[1-(Benzyloxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]ethanol
SpectraBase Compound ID GuNQMQ4KuaG
InChI InChI=1S/C25H26N2O4/c28-12-10-19-7-4-8-21(13-19)22-14-24(16-26-15-22)30-18-23-9-11-27(23)25(29)31-17-20-5-2-1-3-6-20/h1-8,13-16,23,28H,9-12,17-18H2/t23-/m0/s1
InChIKey OXEGNYTVQIURBO-QHCPKHFHSA-N
Mol Weight 418.49 g/mol
Molecular Formula C25H26N2O4
Exact Mass 418.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAJgAiNtJlp
Name 2-[3-[5-[[1-(Benzyloxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]ethanol
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Formula C25H26N2O4
InChI InChI=1S/C25H26N2O4/c28-12-10-19-7-4-8-21(13-19)22-14-24(16-26-15-22)30-18-23-9-11-27(23)25(29)31-17-20-5-2-1-3-6-20/h1-8,13-16,23,28H,9-12,17-18H2/t23-/m0/s1
InChIKey OXEGNYTVQIURBO-QHCPKHFHSA-N
Ionization Type EI
Molecular Weight 418.493 g/mol
Optical Rotation [a]D546 = -52.0 (c = 12.7 g/L, EtOAc)
SMILES OCCc1cccc(-c2cncc(OC[C@@]3(CCN3C(=O)OCc3ccccc3)[H])c2)c1
SPLASH splash10-0006-9000000000-7da1eef005a61039c657
Source of Spectrum US20100152450A1
Wiley ID 1842414