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tert-Butyl 4-(4-methoxyphenyl)-3,6-dihydropyridine-1(2H)-carboxylate
SpectraBase Compound ID CAH0etPzq8b
InChI InChI=1S/C17H23NO3/c1-17(2,3)21-16(19)18-11-9-14(10-12-18)13-5-7-15(20-4)8-6-13/h5-9H,10-12H2,1-4H3
InChIKey UQLPOLQMHUJFTO-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0c5VQ4KWjj
Name tert-Butyl 4-(4-methoxyphenyl)-3,6-dihydropyridine-1(2H)-carboxylate
Appearance Light yellow oil
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Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-17(2,3)21-16(19)18-11-9-14(10-12-18)13-5-7-15(20-4)8-6-13/h5-9H,10-12H2,1-4H3
InChIKey UQLPOLQMHUJFTO-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 289.375 g/mol
Reported Formula C17H23NO3
SMILES C(C)(C)(C)OC(=O)N1CC=C(CC1)c1ccc(cc1)OC
SPLASH splash10-053r-7690000000-ad330905330e968a8d7f
Source of Spectrum ACI-58-SM15-6d
Thin-Layer Chromatography Rf = 0.16 (hexane/EtOAc 95:5, UV, KMnO4, PAA)
Wiley ID 1840514