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4-({1-[(2-Iodophenyl)methyl]-1H-benzo[d]imidazol-2-yl]sulfanyl)benzene-1-carboxylic acid
SpectraBase Compound ID 9ptltb84D4m
InChI InChI=1S/C21H15IN2O2S/c22-17-6-2-1-5-15(17)13-24-19-8-4-3-7-18(19)23-21(24)27-16-11-9-14(10-12-16)20(25)26/h1-12H,13H2,(H,25,26)
InChIKey OBJHIDVWDDXDPE-UHFFFAOYSA-N
Mol Weight 486.33 g/mol
Molecular Formula C21H15IN2O2S
Exact Mass 485.989894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWtPGTY22ag
Name 4-({1-[(2-Iodophenyl)methyl]-1H-benzo[d]imidazol-2-yl]sulfanyl)benzene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15IN2O2S
InChI InChI=1S/C21H15IN2O2S/c22-17-6-2-1-5-15(17)13-24-19-8-4-3-7-18(19)23-21(24)27-16-11-9-14(10-12-16)20(25)26/h1-12H,13H2,(H,25,26)
InChIKey OBJHIDVWDDXDPE-UHFFFAOYSA-N
Molecular Weight 486.327 g/mol
SMILES OC(c1ccc(Sc2[n](c3ccccc3n2)Cc2c(I)cccc2)cc1)=O
SPLASH splash10-014i-8590500000-18f5a102616e3fc0c559
Source of Spectrum F-62-4314-17
Synonyms 4-{[1-(2-iodobenzyl)-1H-benzimidazol-2-yl]sulfanyl}benzoic acid
Wiley ID 1633218