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tert-Butyl[-3-[5-[(2(S)-Azetidinyl)methoxy]-3-pyridyl]benzyl]carbamate
SpectraBase Compound ID IhtxCwKEvr0
InChI InChI=1S/C21H27N3O3/c1-21(2,3)27-20(25)24-11-15-5-4-6-16(9-15)17-10-19(13-22-12-17)26-14-18-7-8-23-18/h4-6,9-10,12-13,18,23H,7-8,11,14H2,1-3H3,(H,24,25)/t18-/m0/s1
InChIKey CFGRRECFFVOYAD-SFHVURJKSA-N
Mol Weight 369.47 g/mol
Molecular Formula C21H27N3O3
Exact Mass 369.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kdjahS12iC
Name tert-Butyl[-3-[5-[(2(S)-Azetidinyl)methoxy]-3-pyridyl]benzyl]carbamate
Appearance Colorless film
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Formula C21H27N3O3
InChI InChI=1S/C21H27N3O3/c1-21(2,3)27-20(25)24-11-15-5-4-6-16(9-15)17-10-19(13-22-12-17)26-14-18-7-8-23-18/h4-6,9-10,12-13,18,23H,7-8,11,14H2,1-3H3,(H,24,25)/t18-/m0/s1
InChIKey CFGRRECFFVOYAD-SFHVURJKSA-N
Ionization Type EI
Molecular Weight 369.465 g/mol
Optical Rotation [a]D546 = 0 (c = 6.4 g/L, MeOH)
SMILES N1[C@](COc2cncc(-c3cc(CNC(OC(C)(C)C)=O)ccc3)c2)(CC1)[H]
SPLASH splash10-0bt9-9042000000-eec722516f4db912f01a
Source of Spectrum US20100152450A1
Wiley ID 1842425