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4-(furan-2-ylmethylene)-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID ICagkuMhvAQ
InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)13-12(9-11-7-4-8-22-11)14(21)20(19-13)10-5-2-1-3-6-10/h1-9H
InChIKey DSXWDUHTJLNKDA-UHFFFAOYSA-N
Mol Weight 306.24 g/mol
Molecular Formula C15H9F3N2O2
Exact Mass 306.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzvpwyF5Akh
Name 4-(furan-2-ylmethylene)-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Appearance Dark orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9F3N2O2
GC Oven Program Split/splitless injector
InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)13-12(9-11-7-4-8-22-11)14(21)20(19-13)10-5-2-1-3-6-10/h1-9H
InChIKey DSXWDUHTJLNKDA-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ
Ionization Type EI
Literature Reference DOI 10.1002/anie.202100115
Molecular Weight 306.244 g/mol
SMILES c1(occc1)C=C1C(N(N=C1C(F)(F)F)c1ccccc1)=O
SPLASH splash10-056r-9005000000-fcf317ab639a831cc51f
Source of Spectrum ACI-60-SM6-1
Wiley ID 1882427