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1-(Cyanoacetyl)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 4tkpqvX8IKr
InChI InChI=1S/C8H8F3N3O2/c1-5-4-7(16,8(9,10)11)14(13-5)6(15)2-3-12/h16H,2,4H2,1H3
InChIKey LJDWKJHVSBUOOF-UHFFFAOYSA-N
Mol Weight 235.17 g/mol
Molecular Formula C8H8F3N3O2
Exact Mass 235.056861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwICDxnTxXg
Name 1-(Cyanoacetyl)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Alternate Name(s) 3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile 3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile 3-[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8F3N3O2
InChI InChI=1S/C8H8F3N3O2/c1-5-4-7(16,8(9,10)11)14(13-5)6(15)2-3-12/h16H,2,4H2,1H3
InChIKey LJDWKJHVSBUOOF-UHFFFAOYSA-N
Molecular Weight 235.166 g/mol
SMILES OC1(N(N=C(C1)C)C(CC#N)=O)C(F)(F)F
SPLASH splash10-0002-9100000000-be6ce03f96289f44c25d
Source of Spectrum AH-139-1052-5b
Wiley ID 1695757