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tert-Butyl 6-methyl-3'-6'-dihydro-[2,4'-bipyridine]-1'(2'H)-carboxylate
SpectraBase Compound ID 7lDx7BP8zR
InChI InChI=1S/C16H22N2O2/c1-12-6-5-7-14(17-12)13-8-10-18(11-9-13)15(19)20-16(2,3)4/h5-8H,9-11H2,1-4H3
InChIKey HKYQBNMFFIXZTA-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C16H22N2O2
Exact Mass 274.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zjIbI4jDF9
Name tert-Butyl 6-methyl-3'-6'-dihydro-[2,4'-bipyridine]-1'(2'H)-carboxylate
Appearance Light yellow oil
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Formula C16H22N2O2
InChI InChI=1S/C16H22N2O2/c1-12-6-5-7-14(17-12)13-8-10-18(11-9-13)15(19)20-16(2,3)4/h5-8H,9-11H2,1-4H3
InChIKey HKYQBNMFFIXZTA-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 274.364 g/mol
Reported Formula C16H22N2O2
SMILES c1(nc(ccc1)C1=CCN(CC1)C(=O)OC(C)(C)C)C
SPLASH splash10-066u-7980000000-c8928a6e945317adebbd
Source of Spectrum ACI-58-SM24-6r
Thin-Layer Chromatography Rf = 0.22 (hexane/EtOAc 80:20, UV, KMnO4, PAA)
Wiley ID 1840528