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tert-Butyl[3-[5-[[1-(Benzyloxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]benzyl]carbamate
SpectraBase Compound ID BHobRysRfRl
InChI InChI=1S/C29H33N3O5/c1-29(2,3)37-27(33)31-16-22-10-7-11-23(14-22)24-15-26(18-30-17-24)35-20-25-12-13-32(25)28(34)36-19-21-8-5-4-6-9-21/h4-11,14-15,17-18,25H,12-13,16,19-20H2,1-3H3,(H,31,33)/t25-/m0/s1
InChIKey GEOYELXKGRMXCP-VWLOTQADSA-N
Mol Weight 503.6 g/mol
Molecular Formula C29H33N3O5
Exact Mass 503.242021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDwzrGWyxZF
Name tert-Butyl[3-[5-[[1-(Benzyloxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]benzyl]carbamate
Appearance Yellowish glass
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Formula C29H33N3O5
InChI InChI=1S/C29H33N3O5/c1-29(2,3)37-27(33)31-16-22-10-7-11-23(14-22)24-15-26(18-30-17-24)35-20-25-12-13-32(25)28(34)36-19-21-8-5-4-6-9-21/h4-11,14-15,17-18,25H,12-13,16,19-20H2,1-3H3,(H,31,33)/t25-/m0/s1
InChIKey GEOYELXKGRMXCP-VWLOTQADSA-N
Ionization Type EI
Molecular Weight 503.599 g/mol
Optical Rotation [a]D546 = -52.5 (c = 10.5 g/L, EtOAc)
SMILES N(Cc1cc(-c2cncc(OC[C@@]3(CCN3C(=O)OCc3ccccc3)[H])c2)ccc1)C(OC(C)(C)C)=O
SPLASH splash10-0006-9000000000-b13f0740ce471e27f7ae
Source of Spectrum US20100152450A1
Wiley ID 1842416