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N-((2-chloroquinolin-3-yl)(1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methyl)-3-methylaniline
SpectraBase Compound ID BcnSNEiY2G
InChI InChI=1S/C26H31ClN6/c1-17-10-9-12-19(14-17)28-22(20-15-18-11-7-8-13-21(18)29-23(20)27)24-30-31-32-33(24)26(5,6)16-25(2,3)4/h7-15,22,28H,16H2,1-6H3
InChIKey KCKPEYIGVVGLJQ-UHFFFAOYSA-N
Mol Weight 463.03 g/mol
Molecular Formula C26H31ClN6
Exact Mass 462.229873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rTHRQFZCZ4
Name N-((2-chloroquinolin-3-yl)(1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methyl)-3-methylaniline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31ClN6
InChI InChI=1S/C26H31ClN6/c1-17-10-9-12-19(14-17)28-22(20-15-18-11-7-8-13-21(18)29-23(20)27)24-30-31-32-33(24)26(5,6)16-25(2,3)4/h7-15,22,28H,16H2,1-6H3
InChIKey KCKPEYIGVVGLJQ-UHFFFAOYSA-N
Instrument Name Agilent technologies HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2546
Molecular Weight 463.029 g/mol
SMILES N(C(c1c(Cl)nc2c(c1)cccc2)c1nnn[n]1C(CC(C)(C)C)(C)C)c1cccc(c1)C
SPLASH splash10-0f89-0095200000-0c246c620fd16eddd69b
Source of Spectrum Y-54-107-6i
Wiley ID 1877758