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3,4-Dihydro-4-hydroxy-4-(3-hydroxypropyl)-5-(trifluoromethyl)-2H-pyrazol-3-one
SpectraBase Compound ID jKbsLHEcyh
InChI InChI=1S/C7H9F3N2O3/c8-7(9,10)4-6(15,2-1-3-13)5(14)12-11-4/h13,15H,1-3H2,(H,12,14)
InChIKey BKPZTSFONRGJAU-UHFFFAOYSA-N
Mol Weight 226.16 g/mol
Molecular Formula C7H9F3N2O3
Exact Mass 226.056527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lse2HdDfwSh
Name 3,4-Dihydro-4-hydroxy-4-(3-hydroxypropyl)-5-(trifluoromethyl)-2H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9F3N2O3
InChI InChI=1S/C7H9F3N2O3/c8-7(9,10)4-6(15,2-1-3-13)5(14)12-11-4/h13,15H,1-3H2,(H,12,14)
InChIKey BKPZTSFONRGJAU-UHFFFAOYSA-N
Molecular Weight 226.155 g/mol
SMILES N1C(C(CCCO)(C(=N1)C(F)(F)F)O)=O
SPLASH splash10-001i-9310000000-512663232e2ac6c37e2a
Source of Spectrum F-65-7550-52
Synonyms 4-Hydroxy-4-(3-hydroxypropyl)-3-(trifluoromethyl)-1H-pyrazol-5-one 4-Oxidanyl-4-(3-oxidanylpropyl)-3-(trifluoromethyl)-1H-pyrazol-5-one
Wiley ID 1680343