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5-Trifluoromethyl-5-hydroxy-4,5-dihydro-3-(1-naphthyl)-1H-1-(thiophenoxyacetyl)pyrazole
SpectraBase Compound ID EHyXrTp8VUW
InChI InChI=1S/C22H17F3N2O2S/c23-22(24,25)21(29)13-19(18-12-6-8-15-7-4-5-11-17(15)18)26-27(21)20(28)14-30-16-9-2-1-3-10-16/h1-12,29H,13-14H2
InChIKey VUVSPIVWHRQOJP-UHFFFAOYSA-N
Mol Weight 430.45 g/mol
Molecular Formula C22H17F3N2O2S
Exact Mass 430.096283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XSGFpxPePk
Name 5-Trifluoromethyl-5-hydroxy-4,5-dihydro-3-(1-naphthyl)-1H-1-(thiophenoxyacetyl)pyrazole
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17F3N2O2S
InChI InChI=1S/C22H17F3N2O2S/c23-22(24,25)21(29)13-19(18-12-6-8-15-7-4-5-11-17(15)18)26-27(21)20(28)14-30-16-9-2-1-3-10-16/h1-12,29H,13-14H2
InChIKey VUVSPIVWHRQOJP-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.806
Molecular Weight 430.445 g/mol
SMILES OC1(CC(=NN1C(=O)CSc1ccccc1)c1c2c(ccc1)cccc2)C(F)(F)F
SPLASH splash10-001i-0490500000-5314bbe99a02e247e2eb
Source of Spectrum ARK-2012-72-3ce
Wiley ID 1864726