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N-[(2-chloro-6-methyl-3-quinolyl)-[1-(1,1,3,3-tetramethylbutyl)tetrazol-5-yl]methyl]-3,4-dimethyl-aniline
SpectraBase Compound ID JqJdsvrHMIp
InChI InChI=1S/C28H35ClN6/c1-17-9-12-23-20(13-17)15-22(25(29)31-23)24(30-21-11-10-18(2)19(3)14-21)26-32-33-34-35(26)28(7,8)16-27(4,5)6/h9-15,24,30H,16H2,1-8H3
InChIKey UUZBOKKNTBKQQB-UHFFFAOYSA-N
Mol Weight 491.1 g/mol
Molecular Formula C28H35ClN6
Exact Mass 490.261173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eVwDgYddFg
Name N-[(2-chloro-6-methyl-3-quinolyl)-[1-(1,1,3,3-tetramethylbutyl)tetrazol-5-yl]methyl]-3,4-dimethyl-aniline
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35ClN6
InChI InChI=1S/C28H35ClN6/c1-17-9-12-23-20(13-17)15-22(25(29)31-23)24(30-21-11-10-18(2)19(3)14-21)26-32-33-34-35(26)28(7,8)16-27(4,5)6/h9-15,24,30H,16H2,1-8H3
InChIKey UUZBOKKNTBKQQB-UHFFFAOYSA-N
Instrument Name Agilent technologies HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2546
Molecular Weight 491.083 g/mol
SMILES N(C(c1c(Cl)nc2c(c1)cc(cc2)C)c1nnn[n]1C(CC(C)(C)C)(C)C)c1ccc(c(c1)C)C
SPLASH splash10-01pk-0096300000-00d125b4dfc6bcfd7ec8
Source of Spectrum Y-54-108-6k
Wiley ID 1877760