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tert-Butyl 4-(2,4-dimethoxypyrimidin-5-yl)-3,6-dihydropyridine-1(2H)-carboxylate
SpectraBase Compound ID Cw5ARnqHwHV
InChI InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)19-8-6-11(7-9-19)12-10-17-14(22-5)18-13(12)21-4/h6,10H,7-9H2,1-5H3
InChIKey HQHMSSSEPUCUAY-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C16H23N3O4
Exact Mass 321.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN94pkcxSXf
Name tert-Butyl 4-(2,4-dimethoxypyrimidin-5-yl)-3,6-dihydropyridine-1(2H)-carboxylate
Appearance Colorless oil
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Formula C16H23N3O4
InChI InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)19-8-6-11(7-9-19)12-10-17-14(22-5)18-13(12)21-4/h6,10H,7-9H2,1-5H3
InChIKey HQHMSSSEPUCUAY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI pos
Literature Reference DOI 10.1002/anie.201810327
Molecular Weight 321.377 g/mol
Reported Formula C12H14N3O4
SMILES c1(C=2CCN(CC2)C(=O)OC(C)(C)C)c(nc(nc1)OC)OC
SPLASH splash10-08fu-9070000000-e6b66c42f3ee0d70b97a
Source of Spectrum ACI-58-SM26-6u
Thin-Layer Chromatography Rf = 0.17 (hexane/EtOAc 80:20, UV, KMnO4, PAA)
Wiley ID 1840531