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4-(3-(4-Chlorophenyl)-1-methyl-5-propyl-1H-pyrazol-4-yl)pyridine
SpectraBase Compound ID L00KseljmY2
InChI InChI=1S/C18H18ClN3/c1-3-4-16-17(13-9-11-20-12-10-13)18(21-22(16)2)14-5-7-15(19)8-6-14/h5-12H,3-4H2,1-2H3
InChIKey XOAMZTRSCLRCHJ-UHFFFAOYSA-N
Mol Weight 311.82 g/mol
Molecular Formula C18H18ClN3
Exact Mass 311.118925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wnFHecEo7t
Name 4-(3-(4-Chlorophenyl)-1-methyl-5-propyl-1H-pyrazol-4-yl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3
InChI InChI=1S/C18H18ClN3/c1-3-4-16-17(13-9-11-20-12-10-13)18(21-22(16)2)14-5-7-15(19)8-6-14/h5-12H,3-4H2,1-2H3
InChIKey XOAMZTRSCLRCHJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2004947
Molecular Weight 311.816 g/mol
SMILES C[n]1nc(c(c1CCC)-c1ccncc1)-c1ccc(Cl)cc1
SPLASH splash10-03e9-0289000000-2d0f8dca1f5f70b45c7b
Source of Spectrum A1-13-2082/SMSI12-1h
Wiley ID 1753138