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(E)-3,4-DIIODO-1-(1-OXO-3-PHENYL-2-PROPENYL)-1H-PYRAZOLE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-3,4-DIIODO-1-(1-OXO-3-PHENYL-2-PROPENYL)-1H-PYRAZOLE
SpectraBase Compound ID 5zFQpuHH7Cs
InChI InChI=1S/C12H8I2N2O/c13-10-8-16(15-12(10)14)11(17)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKey PAGKODWQOUDJGF-VOTSOKGWSA-N
Mol Weight 450.02 g/mol
Molecular Formula C12H8I2N2O
Exact Mass 449.872603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWiLJ34x78t
Name (E)-1-(3,4-diiodo-1-pyrazolyl)-3-phenyl-2-propen-1-one
Alternate Name(s) (E)-1-(3,4-diiodopyrazol-1-yl)-3-phenyl-prop-2-en-1-one (E)-1-[3,4-bis(iodanyl)pyrazol-1-yl]-3-phenyl-prop-2-en-1-one
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Formula C12H8I2N2O
InChI InChI=1S/C12H8I2N2O/c13-10-8-16(15-12(10)14)11(17)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKey PAGKODWQOUDJGF-VOTSOKGWSA-N
Molecular Weight 450.018 g/mol
SMILES c1(n[n](cc1I)C(\C=C\c1ccccc1)=O)I
SPLASH splash10-0f89-1900200000-0f607882469ab4a12fae
Source of Spectrum Y-32-193-7
Wiley ID 1387528