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4-Bromo-2-chloro-5-(4-methoxy-3,5-dimethylbenzenesulfinyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine

View entire compound with spectra: 1 MS (GC)

4-Bromo-2-chloro-5-(4-methoxy-3,5-dimethylbenzenesulfinyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 6oJMjNkMhvv
InChI InChI=1S/C18H18BrClN2O3S/c1-10-5-12(6-11(2)17(10)25-4)26(23)14-8-21-18-13(16(14)19)7-15(20)22(18)9-24-3/h5-8H,9H2,1-4H3
InChIKey ZDWUUUYPBIGFPV-UHFFFAOYSA-N
Mol Weight 457.77 g/mol
Molecular Formula C18H18BrClN2O3S
Exact Mass 455.991004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgGptVNNPGo
Name 4-Bromo-2-chloro-5-(4-methoxy-3,5-dimethylbenzenesulfinyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrClN2O3S
InChI InChI=1S/C18H18BrClN2O3S/c1-10-5-12(6-11(2)17(10)25-4)26(23)14-8-21-18-13(16(14)19)7-15(20)22(18)9-24-3/h5-8H,9H2,1-4H3
InChIKey ZDWUUUYPBIGFPV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303490
Molecular Weight 457.770 g/mol
SMILES c1(S(c2cc(c(c(c2)C)OC)C)=O)c(c2cc(Cl)[n](c2nc1)COC)Br
SPLASH splash10-0zfr-0901800000-25109455d688ec4fe5c3
Source of Spectrum ACI-52-SM9-1
Synonyms 4-Bromo-2-chloro-5-((4-methoxy-3,5-dimethylphenyl)sulfinyl)-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine
Wiley ID 1781530