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tert-butyl (2S)-3,6-dimethyl-2-phenyl-2H-pyridine-1-carboxylate
SpectraBase Compound ID HjrFnnTwrzS
InChI InChI=1S/C18H23NO2/c1-13-11-12-14(2)19(17(20)21-18(3,4)5)16(13)15-9-7-6-8-10-15/h6-12,16H,1-5H3/t16-/m0/s1
InChIKey YOEVKGPOGRJWTG-INIZCTEOSA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1daGStBsK7X
Name tert-butyl (2S)-3,6-dimethyl-2-phenyl-2H-pyridine-1-carboxylate
Appearance Colorless oil
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Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c1-13-11-12-14(2)19(17(20)21-18(3,4)5)16(13)15-9-7-6-8-10-15/h6-12,16H,1-5H3/t16-/m0/s1
InChIKey YOEVKGPOGRJWTG-INIZCTEOSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 285.387 g/mol
Optical Rotation [a]D20 = -533.5 (c = 1.00, CHCl3)
Reported Formula C18H23NO2
SMILES C=1(N([C@@](C(=CC1)C)(c1ccccc1)[H])C(=O)OC(C)(C)C)C
SPLASH splash10-0a4i-3910000000-e0fe58e72c169fbdd194
Sample Comments >99% ee
Source of Spectrum CN110590644A
Wiley ID 1874941