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1-(Thenoyl)-5-(5-methylaminopentyl)-3-(4-bromophenyl)pyrazole hydrochloride salt
SpectraBase Compound ID LMt8KD92t5Q
InChI InChI=1S/C20H22BrN3OS.ClH/c1-22-12-4-2-3-6-17-14-18(15-8-10-16(21)11-9-15)23-24(17)20(25)19-7-5-13-26-19;/h5,7-11,13-14,22H,2-4,6,12H2,1H3;1H
InChIKey VDEVWLFCCZIWDJ-UHFFFAOYSA-N
Mol Weight 468.84 g/mol
Molecular Formula C20H23BrClN3OS
Exact Mass 467.043374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ByQxnf8e0L
Name 1-(Thenoyl)-5-(5-methylaminopentyl)-3-(4-bromophenyl)pyrazole hydrochloride salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23BrClN3OS
InChI InChI=1S/C20H22BrN3OS.ClH/c1-22-12-4-2-3-6-17-14-18(15-8-10-16(21)11-9-15)23-24(17)20(25)19-7-5-13-26-19;/h5,7-11,13-14,22H,2-4,6,12H2,1H3;1H
InChIKey VDEVWLFCCZIWDJ-UHFFFAOYSA-N
Molecular Weight 468.841 g/mol
SMILES Cl.N(CCCCCc1[n](nc(-c2ccc(cc2)Br)c1)C(c1sccc1)=O)C
SPLASH splash10-03dl-9700000000-6e9848d33546e1b0c1c0
Source of Spectrum SO-0-1155-10
Synonyms {5-[3-(4-bromophenyl)-1-(thiophen-2-ylcarbonyl)-1H-pyrazol-5-yl]pentyl}(methyl)amine hydrochloride
Wiley ID 1542737