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N-[3-[3-[5-[[(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]propyl]methanesulfonamide
SpectraBase Compound ID 3bdC8kEkIkm
InChI InChI=1S/C24H33N3O5S/c1-24(2,3)32-23(28)27-12-10-21(27)17-31-22-14-20(15-25-16-22)19-9-5-7-18(13-19)8-6-11-26-33(4,29)30/h5,7,9,13-16,21,26H,6,8,10-12,17H2,1-4H3/t21-/m0/s1
InChIKey HOVQPXGTODYRTF-NRFANRHFSA-N
Mol Weight 475.6 g/mol
Molecular Formula C24H33N3O5S
Exact Mass 475.214092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lFPcBIrT6
Name N-[3-[3-[5-[[(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]phenyl]propyl]methanesulfonamide
Appearance Colorless glass
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Formula C24H33N3O5S
InChI InChI=1S/C24H33N3O5S/c1-24(2,3)32-23(28)27-12-10-21(27)17-31-22-14-20(15-25-16-22)19-9-5-7-18(13-19)8-6-11-26-33(4,29)30/h5,7,9,13-16,21,26H,6,8,10-12,17H2,1-4H3/t21-/m0/s1
InChIKey HOVQPXGTODYRTF-NRFANRHFSA-N
Ionization Type EI
Molecular Weight 475.604 g/mol
Optical Rotation [a]D546 = -43.3 (c = 6.0 g/L, EtOAc)
SMILES N(CCCc1cc(-c2cncc(OC[C@@]3(CCN3C(OC(C)(C)C)=O)[H])c2)ccc1)S(=O)(C)=O
SPLASH splash10-0a4i-9202000000-082dd5cceaf7843e4bf3
Source of Spectrum US20100152450A1
Wiley ID 1842411