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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TaoNFtKrHg
Name 4-(Dodecyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.211256070 u
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 C=1(N(N=C(C1C(=S)SCCCCCCCCCCCC)C)C1=CC=CC=C1)O