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

View entire compound with spectra: 1 MS (GC)

4-(Propyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
SpectraBase Compound ID BrlzSD5gfaK
InChI InChI=1S/C14H16N2OS2/c1-3-9-19-14(18)12-10(2)15-16(13(12)17)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3
InChIKey KQFKPYLNUJVRPI-UHFFFAOYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C14H16N2OS2
Exact Mass 292.070405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fQHy8fGnDz
Name 4-(Propyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
Alternate Name(s) 4-[(Propylthio)thiocarbonyl]-5-hydroxy-3-methyl-1-phenylpyrazole Propyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2OS2
InChI InChI=1S/C14H16N2OS2/c1-3-9-19-14(18)12-10(2)15-16(13(12)17)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3
InChIKey KQFKPYLNUJVRPI-UHFFFAOYSA-N
Molecular Weight 292.415 g/mol
SMILES Oc1[n](nc(c1C(=S)SCCC)C)-c1ccccc1
SPLASH splash10-014i-0090000000-86d079188b42df3b2dca
Source of Spectrum SK-20-482-3
Wiley ID 851352