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

View entire compound with spectra: 1 MS (GC)

4-(Butyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
SpectraBase Compound ID L4HlZ7aIjgx
InChI InChI=1S/C15H18N2OS2/c1-3-4-10-20-15(19)13-11(2)16-17(14(13)18)12-8-6-5-7-9-12/h5-9,18H,3-4,10H2,1-2H3
InChIKey ZPNRWTVHXKDASD-UHFFFAOYSA-N
Mol Weight 306.44 g/mol
Molecular Formula C15H18N2OS2
Exact Mass 306.086056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kv6W3kbIA9a
Name 4-(Butyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole
Alternate Name(s) 4-[(Butylthio)thiocarbonyl]-5-hydroxy-3-methyl-1-phenylpyrazole Butyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2OS2
InChI InChI=1S/C15H18N2OS2/c1-3-4-10-20-15(19)13-11(2)16-17(14(13)18)12-8-6-5-7-9-12/h5-9,18H,3-4,10H2,1-2H3
InChIKey ZPNRWTVHXKDASD-UHFFFAOYSA-N
Molecular Weight 306.442 g/mol
SMILES Oc1[n](nc(c1C(=S)SCCCC)C)-c1ccccc1
SPLASH splash10-014i-0092000000-15794697a33f2e0c3ba7
Source of Spectrum SK-20-482-4
Wiley ID 851351