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N-[3-[5-[[1-(Benzyloxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]benzyl]acetamide
SpectraBase Compound ID 3DIpGONvT4B
InChI InChI=1S/C26H27N3O4/c1-19(30)28-14-21-8-5-9-22(12-21)23-13-25(16-27-15-23)32-18-24-10-11-29(24)26(31)33-17-20-6-3-2-4-7-20/h2-9,12-13,15-16,24H,10-11,14,17-18H2,1H3,(H,28,30)/t24-/m0/s1
InChIKey HAYVAZVNJDKJQG-DEOSSOPVSA-N
Mol Weight 445.52 g/mol
Molecular Formula C26H27N3O4
Exact Mass 445.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BT5NUg0imdW
Name N-[3-[5-[[1-(Benzyloxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]benzyl]acetamide
Appearance Colorless glass
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Formula C26H27N3O4
InChI InChI=1S/C26H27N3O4/c1-19(30)28-14-21-8-5-9-22(12-21)23-13-25(16-27-15-23)32-18-24-10-11-29(24)26(31)33-17-20-6-3-2-4-7-20/h2-9,12-13,15-16,24H,10-11,14,17-18H2,1H3,(H,28,30)/t24-/m0/s1
InChIKey HAYVAZVNJDKJQG-DEOSSOPVSA-N
Ionization Type EI
Molecular Weight 445.519 g/mol
Optical Rotation [a]D546 = -48.3 (c = 14.8 g/L, EtOAc)
SMILES N(Cc1cc(-c2cncc(OC[C@@]3(CCN3C(=O)OCc3ccccc3)[H])c2)ccc1)C(C)=O
SPLASH splash10-0006-9000000000-f929a68f437c1bacabed
Source of Spectrum US20100152450A1
Wiley ID 1842418