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(5R,8S)-5,9,9-trimethyl-2,3-di(pyridin-2-yl)-5,6,7,8-tetrahydro-5,8-methanoquinoxaline
SpectraBase Compound ID DXJzYGK2Ya8
InChI InChI=1S/C22H22N4/c1-21(2)14-10-11-22(21,3)20-17(14)25-18(15-8-4-6-12-23-15)19(26-20)16-9-5-7-13-24-16/h4-9,12-14H,10-11H2,1-3H3/t14-,22+/m1/s1
InChIKey HTYJVRYIZLQXLB-PEBXRYMYSA-N
Mol Weight 342.45 g/mol
Molecular Formula C22H22N4
Exact Mass 342.184447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNjxaMnGPBg
Name (5R,8S)-5,9,9-trimethyl-2,3-di(pyridin-2-yl)-5,6,7,8-tetrahydro-5,8-methanoquinoxaline
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4
InChI InChI=1S/C22H22N4/c1-21(2)14-10-11-22(21,3)20-17(14)25-18(15-8-4-6-12-23-15)19(26-20)16-9-5-7-13-24-16/h4-9,12-14H,10-11H2,1-3H3/t14-,22+/m1/s1
InChIKey HTYJVRYIZLQXLB-PEBXRYMYSA-N
Instrument Name Agilent Technologies 6890N-5973 Network
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.226
Molecular Weight 342.446 g/mol
Optical Rotation [a]D20 = +23.0 (c = 0.5, CH3OH)
SMILES CC1(C)[C@@]2(CC[C@]1(c1c2nc(c(n1)-c1ccccn1)-c1ccccn1)C)[H]
SPLASH splash10-0002-1095000000-095ec10525b8aeb07d0f
Source of Spectrum ARK-2010-320-1b
Thin-Layer Chromatography Rf = 0.18 (SiO2, Hexane/EtOAc, 2:1)
Wiley ID 1869974