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N-[3-[3-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]propyl]acetamide
SpectraBase Compound ID CH2eKDxaLyY
InChI InChI=1S/C25H33N3O4/c1-18(29)27-11-6-8-19-7-5-9-20(13-19)21-14-23(16-26-15-21)31-17-22-10-12-28(22)24(30)32-25(2,3)4/h5,7,9,13-16,22H,6,8,10-12,17H2,1-4H3,(H,27,29)/t22-/m0/s1
InChIKey BJUFZKUYZTUQNV-QFIPXVFZSA-N
Mol Weight 439.6 g/mol
Molecular Formula C25H33N3O4
Exact Mass 439.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcXOr5Ab86P
Name N-[3-[3-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]propyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O4
InChI InChI=1S/C25H33N3O4/c1-18(29)27-11-6-8-19-7-5-9-20(13-19)21-14-23(16-26-15-21)31-17-22-10-12-28(22)24(30)32-25(2,3)4/h5,7,9,13-16,22H,6,8,10-12,17H2,1-4H3,(H,27,29)/t22-/m0/s1
InChIKey BJUFZKUYZTUQNV-QFIPXVFZSA-N
Ionization Type EI
Molecular Weight 439.556 g/mol
Optical Rotation [a]D546 = -42.2 (c = 5.85 g/L, EtOAc)
SMILES N(CCCc1cc(-c2cncc(OC[C@@]3(CCN3C(OC(C)(C)C)=O)[H])c2)ccc1)C(C)=O
SPLASH splash10-0a4i-9221000000-6e03f51ce2e1175e33cd
Source of Spectrum US20100152450A1
Wiley ID 1842410