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3,4-DIIODO-1-(1-OXO-3-PHENYLPROPYL)-1H-PYRAZOLE

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

3,4-DIIODO-1-(1-OXO-3-PHENYLPROPYL)-1H-PYRAZOLE
SpectraBase Compound ID DG1SjzI7Uy7
InChI InChI=1S/C12H10I2N2O/c13-10-8-16(15-12(10)14)11(17)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey MRWAPGGPIYHSCQ-UHFFFAOYSA-N
Mol Weight 452.03 g/mol
Molecular Formula C12H10I2N2O
Exact Mass 451.888253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR6ZbGDL9RL
Name 1-(3,4-diiodo-1-pyrazolyl)-3-phenyl-1-propanone
Alternate Name(s) 1-(3,4-diiodopyrazol-1-yl)-3-phenyl-propan-1-one 1-[3,4-bis(iodanyl)pyrazol-1-yl]-3-phenyl-propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10I2N2O
InChI InChI=1S/C12H10I2N2O/c13-10-8-16(15-12(10)14)11(17)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey MRWAPGGPIYHSCQ-UHFFFAOYSA-N
Molecular Weight 452.034 g/mol
SMILES c1(n[n](cc1I)C(=O)CCc1ccccc1)I
SPLASH splash10-0uk9-3905000000-6d0eaddb24b01f414b81
Source of Spectrum Y-32-193-5
Wiley ID 1388075