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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(Dodecyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
SpectraBase Compound ID Lj9denVlo3h
InChI InChI=1S/C23H34N2OS2/c1-3-4-5-6-7-8-9-10-11-15-18-28-23(27)21-19(2)24-25(22(21)26)20-16-13-12-14-17-20/h12-14,16-17,26H,3-11,15,18H2,1-2H3
InChIKey GTYNBBMBURKOHS-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C23H34N2OS2
Exact Mass 418.211256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJfHrIRAQWp
Name 4-(Dodecyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N2OS2
InChI InChI=1S/C23H34N2OS2/c1-3-4-5-6-7-8-9-10-11-15-18-28-23(27)21-19(2)24-25(22(21)26)20-16-13-12-14-17-20/h12-14,16-17,26H,3-11,15,18H2,1-2H3
InChIKey GTYNBBMBURKOHS-UHFFFAOYSA-N
Molecular Weight 418.658 g/mol
SMILES Oc1[n](nc(c1C(=S)SCCCCCCCCCCCC)C)-c1ccccc1
SPLASH splash10-014i-0090000000-cf2653a34ad4bb57c1f4
Source of Spectrum SK-20-482-8
Synonyms 4-[(Dodecylthio)thiocarbonyl]-5-hydroxy-3-methyl-1-phenylpyrazole Dodecyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
Wiley ID 851347