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2-((2-chloroquinolin-3-yl)(1-cyclohexyl-1H-tetrazol-5-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SpectraBase Compound ID HwWZuFb04ag
InChI InChI=1S/C28H28ClN7/c29-27-22(16-18-8-4-6-12-23(18)31-27)26(28-32-33-34-36(28)19-9-2-1-3-10-19)35-15-14-21-20-11-5-7-13-24(20)30-25(21)17-35/h4-8,11-13,16,19,26,30H,1-3,9-10,14-15,17H2
InChIKey SGKUCSBDUKIYID-UHFFFAOYSA-N
Mol Weight 498.03 g/mol
Molecular Formula C28H28ClN7
Exact Mass 497.209472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aJvx3GOWDv
Name 2-((2-chloroquinolin-3-yl)(1-cyclohexyl-1H-tetrazol-5-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28ClN7
InChI InChI=1S/C28H28ClN7/c29-27-22(16-18-8-4-6-12-23(18)31-27)26(28-32-33-34-36(28)19-9-2-1-3-10-19)35-15-14-21-20-11-5-7-13-24(20)30-25(21)17-35/h4-8,11-13,16,19,26,30H,1-3,9-10,14-15,17H2
InChIKey SGKUCSBDUKIYID-UHFFFAOYSA-N
Instrument Name Agilent technologies HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2546
Molecular Weight 498.034 g/mol
SMILES [nH]1c2c(c3c1CN(CC3)C(c1cc3ccccc3nc1Cl)c1nnn[n]1C1CCCCC1)cccc2
SPLASH splash10-00xu-0920000000-45682e8b969315880844
Source of Spectrum Y-54-108-7a
Wiley ID 1877761