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1-(4-Hydroxy-3,5-diiodophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
SpectraBase Compound ID 851iTMvPNV8
InChI InChI=1S/C12H10I2N2O2S/c1-16-3-2-15-12(16)19-6-10(17)7-4-8(13)11(18)9(14)5-7/h2-5,18H,6H2,1H3
InChIKey QBDZLOJIIGXQHD-UHFFFAOYSA-N
Mol Weight 500.09 g/mol
Molecular Formula C12H10I2N2O2S
Exact Mass 499.855239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F22OSYOQx0f
Name 1-(4-Hydroxy-3,5-diiodophenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
CAS Registry Number 313239-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10I2N2O2S
InChI InChI=1S/C12H10I2N2O2S/c1-16-3-2-15-12(16)19-6-10(17)7-4-8(13)11(18)9(14)5-7/h2-5,18H,6H2,1H3
InChIKey QBDZLOJIIGXQHD-UHFFFAOYSA-N
Molecular Weight 500.093 g/mol
SMILES Oc1c(cc(C(CSc2[n](ccn2)C)=O)cc1I)I
SPLASH splash10-00b9-8944000000-ccbe605cd09fe50407c7
Source of Spectrum AD-0-2532-0
Synonyms 1-(4-hydroxy-3,5-diiodo-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone 1-(4-hydroxy-3,5-diiodo-phenyl)-2-[(1-methylimidazol-2-yl)thio]ethanone 1-(4-hydroxy-3,5-diiodophenyl)-2-[(1-methyl-2-imidazolyl)thio]ethanone 1-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Ethanone, 1-(4-hydroxy-3,5-diiodophenyl)-2-(1-methylimidazol-2-yl)thio-
Wiley ID 1420484