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1-(Cyanoacetyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID Avu3SpgbiS5
InChI InChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)2-4-12-13(6)5(14)1-3-11/h4,15H,1-2H2
InChIKey AGFOVAFTJYDQDR-UHFFFAOYSA-N
Mol Weight 221.14 g/mol
Molecular Formula C7H6F3N3O2
Exact Mass 221.041211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jngf1d5pTWd
Name 1-(Cyanoacetyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Alternate Name(s) 3-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile 3-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile 3-Oxidanylidene-3-[5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6F3N3O2
InChI InChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)2-4-12-13(6)5(14)1-3-11/h4,15H,1-2H2
InChIKey AGFOVAFTJYDQDR-UHFFFAOYSA-N
Molecular Weight 221.139 g/mol
SMILES OC1(N(N=CC1)C(CC#N)=O)C(F)(F)F
SPLASH splash10-000i-9100000000-1f7b4f5fccb6c66bad2a
Source of Spectrum AH-139-1052-5a
Wiley ID 1695758