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3-Ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID GqqojCsSYeR
InChI InChI=1S/C13H12F3IN2O2/c1-2-10-7-12(21,13(14,15)16)19(18-10)11(20)8-3-5-9(17)6-4-8/h3-6,21H,2,7H2,1H3
InChIKey ZXIBASCLAFKKST-UHFFFAOYSA-N
Mol Weight 412.15 g/mol
Molecular Formula C13H12F3IN2O2
Exact Mass 411.989557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jK6ReMulAc
Name 3-Ethyl-1-(4-iodobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CAS Registry Number 330451-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3IN2O2
InChI InChI=1S/C13H12F3IN2O2/c1-2-10-7-12(21,13(14,15)16)19(18-10)11(20)8-3-5-9(17)6-4-8/h3-6,21H,2,7H2,1H3
InChIKey ZXIBASCLAFKKST-UHFFFAOYSA-N
Molecular Weight 412.151 g/mol
SMILES OC1(N(C(c2ccc(I)cc2)=O)N=C(C1)CC)C(F)(F)F
SPLASH splash10-001i-5190000000-5978d606c49e00a1ff21
Synonyms (3-Ethyl-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-(4-iodo-phenyl)-methanone [3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-iodophenyl)methanone [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone [3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
Wiley ID 1459088