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

View entire compound with spectra: 1 MS (GC)

4-(Decyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
SpectraBase Compound ID ARphpV1fDAP
InChI InChI=1S/C21H30N2OS2/c1-3-4-5-6-7-8-9-13-16-26-21(25)19-17(2)22-23(20(19)24)18-14-11-10-12-15-18/h10-12,14-15,24H,3-9,13,16H2,1-2H3
InChIKey UJAVWKQUFRDWLB-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C21H30N2OS2
Exact Mass 390.179956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2kWG86Ifwo
Name 4-(Decyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
Alternate Name(s) 4-[(Decylthio)thiocarbonyl]-5-hydroxy-3-methyl-1-phenylpyrazole decyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2OS2
InChI InChI=1S/C21H30N2OS2/c1-3-4-5-6-7-8-9-13-16-26-21(25)19-17(2)22-23(20(19)24)18-14-11-10-12-15-18/h10-12,14-15,24H,3-9,13,16H2,1-2H3
InChIKey UJAVWKQUFRDWLB-UHFFFAOYSA-N
Molecular Weight 390.604 g/mol
SMILES Oc1[n](nc(c1C(=S)SCCCCCCCCCC)C)-c1ccccc1
SPLASH splash10-014i-0091000000-ca507962605a3cadc220
Source of Spectrum SK-20-482-7
Wiley ID 851348