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1-CYANOACETYL-5-HYDROXY-3-PHENYL-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID Bpjd9imSIbM
InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)8-10(9-4-2-1-3-5-9)18-19(12)11(20)6-7-17/h1-5,21H,6,8H2
InChIKey WYIONPMUPCJBFP-UHFFFAOYSA-N
Mol Weight 297.24 g/mol
Molecular Formula C13H10F3N3O2
Exact Mass 297.072511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExnDW0pq8BQ
Name 1-(Cyanoacetyl)-5-hydroxy-5-(trifluoromethyl)-3-phenyl-4,5-dihydro-1H-pyrazole
Alternate Name(s) 3-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile 3-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile 3-Oxidanylidene-3-[5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F3N3O2
InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)8-10(9-4-2-1-3-5-9)18-19(12)11(20)6-7-17/h1-5,21H,6,8H2
InChIKey WYIONPMUPCJBFP-UHFFFAOYSA-N
Molecular Weight 297.237 g/mol
SMILES OC1(N(N=C(C1)c1ccccc1)C(CC#N)=O)C(F)(F)F
SPLASH splash10-03di-2910000000-00149bc1bd648f084a54
Source of Spectrum D9-19-1366-5g
Wiley ID 1695349