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4-Bromo-2-chloro-6-iodo-5-(4-methoxy-3,5-dimethylbenzenesulfinyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 5loPY9uf325
InChI InChI=1S/C18H17BrClIN2O3S/c1-9-5-11(6-10(2)15(9)26-4)27(24)16-14(19)12-7-13(20)23(8-25-3)18(12)22-17(16)21/h5-7H,8H2,1-4H3
InChIKey OSTATYIIQVPZEI-UHFFFAOYSA-N
Mol Weight 583.67 g/mol
Molecular Formula C18H17BrClIN2O3S
Exact Mass 581.887649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gTWSxgfNAt
Name 4-Bromo-2-chloro-6-iodo-5-(4-methoxy-3,5-dimethylbenzenesulfinyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine
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Formula C18H17BrClIN2O3S
InChI InChI=1S/C18H17BrClIN2O3S/c1-9-5-11(6-10(2)15(9)26-4)27(24)16-14(19)12-7-13(20)23(8-25-3)18(12)22-17(16)21/h5-7H,8H2,1-4H3
InChIKey OSTATYIIQVPZEI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303490
Molecular Weight 583.666 g/mol
SMILES c1(S(c2cc(c(c(c2)C)OC)C)=O)c(c2cc(Cl)[n](c2nc1I)COC)Br
SPLASH splash10-0fai-0900330000-aa98b09d91cb808d6279
Source of Spectrum ACI-52-SM11-11
Synonyms 4-Bromo-2-chloro-6-iodo-5-((4-methoxy-3,5-dimethylphenyl)sulfinyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine
Wiley ID 1781520