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1H-Pyrazole-1-acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-iodo-
SpectraBase Compound ID Jkw9bNKUhml
InChI InChI=1S/C12H8ClF3IN3O/c13-9-2-1-7(12(14,15)16)3-10(9)19-11(21)6-20-5-8(17)4-18-20/h1-5H,6H2,(H,19,21)
InChIKey KKKXMWYGNRPYFG-UHFFFAOYSA-N
Mol Weight 429.57 g/mol
Molecular Formula C12H8ClF3IN3O
Exact Mass 428.935269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KYeMNVWhtN
Name 1H-Pyrazole-1-acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-iodo-
Alternate Name(s) N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-iodo-1-pyrazolyl)acetamide N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-iodanylpyrazol-1-yl)ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClF3IN3O
InChI InChI=1S/C12H8ClF3IN3O/c13-9-2-1-7(12(14,15)16)3-10(9)19-11(21)6-20-5-8(17)4-18-20/h1-5H,6H2,(H,19,21)
InChIKey KKKXMWYGNRPYFG-UHFFFAOYSA-N
Molecular Weight 429.569 g/mol
SMILES N(c1cc(ccc1Cl)C(F)(F)F)C(=O)C[n]1ncc(c1)I
SPLASH splash10-0pc0-9450000000-47f30c881bd0469c0fb0
Source of Spectrum IY-1-4543-3
Wiley ID 1653416