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2-[(1R,2S)-2-[5-[[1-(Benzyloxycarbonyl)-(2S)-azetidinyl]methoxy]-3-pyridyl]cyclopropyl]ethanol
SpectraBase Compound ID 1lHmEZv754x
InChI InChI=1S/C22H26N2O4/c25-9-7-17-11-21(17)18-10-20(13-23-12-18)27-15-19-6-8-24(19)22(26)28-14-16-4-2-1-3-5-16/h1-5,10,12-13,17,19,21,25H,6-9,11,14-15H2/t17-,19-,21-/m0/s1
InChIKey IBQAOKCZHUGRIW-CUWPLCDZSA-N
Mol Weight 382.46 g/mol
Molecular Formula C22H26N2O4
Exact Mass 382.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQ8uadbkowW
Name 2-[(1R,2S)-2-[5-[[1-(Benzyloxycarbonyl)-(2S)-azetidinyl]methoxy]-3-pyridyl]cyclopropyl]ethanol
Appearance Colorless glass
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Formula C22H26N2O4
InChI InChI=1S/C22H26N2O4/c25-9-7-17-11-21(17)18-10-20(13-23-12-18)27-15-19-6-8-24(19)22(26)28-14-16-4-2-1-3-5-16/h1-5,10,12-13,17,19,21,25H,6-9,11,14-15H2/t17-,19-,21-/m0/s1
InChIKey IBQAOKCZHUGRIW-CUWPLCDZSA-N
Ionization Type EI
Molecular Weight 382.460 g/mol
Optical Rotation [a]D546 = -129 (c = 9.25 g/L, EtOAc)
SMILES OCC[C@@]1([C@@](c2cncc(c2)OC[C@]2(N(CC2)C(=O)OCc2ccccc2)[H])(C1)[H])[H]
SPLASH splash10-0006-9000000000-f12911364a4f6c1d947f
Source of Spectrum US20100152450A1
Wiley ID 1842400