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1-(4-iodobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID 8Tf75E44QXU
InChI InChI=1S/C12H10F3IN2O2/c1-7-6-11(20,12(13,14)15)18(17-7)10(19)8-2-4-9(16)5-3-8/h2-5,20H,6H2,1H3
InChIKey KECCPHVEIVZZDY-UHFFFAOYSA-N
Mol Weight 398.12 g/mol
Molecular Formula C12H10F3IN2O2
Exact Mass 397.973907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDT5DgiBT9z
Name 1-(4-Iodobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CAS Registry Number 331868-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F3IN2O2
InChI InChI=1S/C12H10F3IN2O2/c1-7-6-11(20,12(13,14)15)18(17-7)10(19)8-2-4-9(16)5-3-8/h2-5,20H,6H2,1H3
InChIKey KECCPHVEIVZZDY-UHFFFAOYSA-N
Molecular Weight 398.124 g/mol
SMILES OC1(N(C(c2ccc(I)cc2)=O)N=C(C1)C)C(F)(F)F
SPLASH splash10-001i-5290000000-7a23be5ebe2c740c2290
Synonyms (4-iodophenyl)-[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-(4-iodo-phenyl)-methanone [5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-iodophenyl)methanone [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
Wiley ID 1459203