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5-Trifluoromethyl-5-hydroxy-4,5-dihydro-3-methyl-1H-1-(thiophenoxyacetyl)pyrazole
SpectraBase Compound ID 3MwNSz3UZKP
InChI InChI=1S/C13H13F3N2O2S/c1-9-7-12(20,13(14,15)16)18(17-9)11(19)8-21-10-5-3-2-4-6-10/h2-6,20H,7-8H2,1H3
InChIKey KKQQBQMWFZDELH-UHFFFAOYSA-N
Mol Weight 318.31 g/mol
Molecular Formula C13H13F3N2O2S
Exact Mass 318.064983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ji6W21Y58cC
Name 5-Trifluoromethyl-5-hydroxy-4,5-dihydro-3-methyl-1H-1-(thiophenoxyacetyl)pyrazole
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3N2O2S
InChI InChI=1S/C13H13F3N2O2S/c1-9-7-12(20,13(14,15)16)18(17-9)11(19)8-21-10-5-3-2-4-6-10/h2-6,20H,7-8H2,1H3
InChIKey KKQQBQMWFZDELH-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.806
Molecular Weight 318.314 g/mol
SMILES OC1(CC(=NN1C(=O)CSc1ccccc1)C)C(F)(F)F
SPLASH splash10-0gi0-0905000000-e13c36817385ba5e3696
Source of Spectrum ARK-2012-71-3cb
Wiley ID 1864723