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4-(Hexyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole

View entire compound with spectra: 1 MS (GC)

4-(Hexyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
SpectraBase Compound ID LcEzZTr8gfg
InChI InChI=1S/C17H22N2OS2/c1-3-4-5-9-12-22-17(21)15-13(2)18-19(16(15)20)14-10-7-6-8-11-14/h6-8,10-11,20H,3-5,9,12H2,1-2H3
InChIKey JKUFUPQSGBNNIZ-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C17H22N2OS2
Exact Mass 334.117356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEPXPUn3uFm
Name 4-(Hexyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
Alternate Name(s) 4-[(Hexylthio)thiocarbonyl]-5-hydroxy-3-methyl-1-phenylpyrazole Hexyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2OS2
InChI InChI=1S/C17H22N2OS2/c1-3-4-5-9-12-22-17(21)15-13(2)18-19(16(15)20)14-10-7-6-8-11-14/h6-8,10-11,20H,3-5,9,12H2,1-2H3
InChIKey JKUFUPQSGBNNIZ-UHFFFAOYSA-N
Molecular Weight 334.496 g/mol
SMILES Oc1[n](nc(c1C(=S)SCCCCCC)C)-c1ccccc1
SPLASH splash10-014i-0091000000-59d8c7866e8f2101e9b5
Source of Spectrum SK-20-482-5
Wiley ID 851350