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6-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2,2'-bipyridine
SpectraBase Compound ID JooAVhthbB7
InChI InChI=1S/C20H26N2O/c1-14(2)16-11-10-15(3)13-19(16)23-20-9-6-8-18(22-20)17-7-4-5-12-21-17/h4-9,12,14-16,19H,10-11,13H2,1-3H3/t15-,16+,19-/m1/s1
InChIKey VHRPSJDRYVFAOA-JTDSTZFVSA-N
Mol Weight 310.44 g/mol
Molecular Formula C20H26N2O
Exact Mass 310.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWT7B6uFP8O
Name 6-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2,2'-bipyridine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O
InChI InChI=1S/C20H26N2O/c1-14(2)16-11-10-15(3)13-19(16)23-20-9-6-8-18(22-20)17-7-4-5-12-21-17/h4-9,12,14-16,19H,10-11,13H2,1-3H3/t15-,16+,19-/m1/s1
InChIKey VHRPSJDRYVFAOA-JTDSTZFVSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201915425
Molecular Weight 310.441 g/mol
Optical Rotation [a]D20 = -103.12 (c = 0.7, CH2Cl2)
SMILES c1nc(ccc1)-c1cccc(n1)O[C@@]1(C[C@@](CC[C@]1(C(C)C)[H])(C)[H])[H]
SPLASH splash10-00di-1900000000-0913af64f0372b5fdfa9
Source of Spectrum ACI-59-SM53-33
Thin-Layer Chromatography Rf = 0.6 (Hexanes/EtOAc, 5:1)
Wiley ID 1857808