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3-Bromo-5-(5-bromoindol-7-yl)isothiazole-4-carbonitrile
SpectraBase Compound ID 84PAwmlvGZ6
InChI InChI=1S/C12H5Br2N3S/c13-7-3-6-1-2-16-10(6)8(4-7)11-9(5-15)12(14)17-18-11/h1-4,16H
InChIKey AOXHPKYLQVEUJE-UHFFFAOYSA-N
Mol Weight 383.06 g/mol
Molecular Formula C12H5Br2N3S
Exact Mass 380.857094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHZeFmNzTPA
Name 3-Bromo-5-(5-bromoindol-7-yl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5Br2N3S
InChI InChI=1S/C12H5Br2N3S/c13-7-3-6-1-2-16-10(6)8(4-7)11-9(5-15)12(14)17-18-11/h1-4,16H
InChIKey AOXHPKYLQVEUJE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 383.061 g/mol
SMILES [nH]1c2c(cc(cc2cc1)Br)-c1c(c(ns1)Br)C#N
SPLASH splash10-0089-0239000000-9057d148817db6550b8d
Source of Spectrum A1-13-1510/SM16-2x
Synonyms 3-Bromo-5-(5-bromo-1H-indol-7-yl)isothiazole-4-carbonitrile
Wiley ID 1752969