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

View entire compound with spectra: 1 MS (GC)

4-(Octyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
SpectraBase Compound ID LrGWqUFOxx8
InChI InChI=1S/C19H26N2OS2/c1-3-4-5-6-7-11-14-24-19(23)17-15(2)20-21(18(17)22)16-12-9-8-10-13-16/h8-10,12-13,22H,3-7,11,14H2,1-2H3
InChIKey JHNCOVJRTPNSQV-UHFFFAOYSA-N
Mol Weight 362.55 g/mol
Molecular Formula C19H26N2OS2
Exact Mass 362.148656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrdWC6RktlM
Name 4-(Octyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
Alternate Name(s) 4-[(Octylthio)thiocarbonyl]-5-hydroxy-3-methyl-1-phenylpyrazole Octyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2OS2
InChI InChI=1S/C19H26N2OS2/c1-3-4-5-6-7-11-14-24-19(23)17-15(2)20-21(18(17)22)16-12-9-8-10-13-16/h8-10,12-13,22H,3-7,11,14H2,1-2H3
InChIKey JHNCOVJRTPNSQV-UHFFFAOYSA-N
Molecular Weight 362.550 g/mol
SMILES Oc1[n](nc(c1C(=S)SCCCCCCCC)C)-c1ccccc1
SPLASH splash10-014i-0092000000-6b926d23ad7044ded651
Source of Spectrum SK-20-482-6
Wiley ID 851349