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3-Bromo-5-(indol-5-yl)isothiazole-4-carbonitrile
SpectraBase Compound ID K8cPTQsLoYK
InChI InChI=1S/C12H6BrN3S/c13-12-9(6-14)11(17-16-12)8-1-2-10-7(5-8)3-4-15-10/h1-5,15H
InChIKey PSFVSLXVRHYVKJ-UHFFFAOYSA-N
Mol Weight 304.17 g/mol
Molecular Formula C12H6BrN3S
Exact Mass 302.946581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1edJabyUxE
Name 3-Bromo-5-(indol-5-yl)isothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6BrN3S
InChI InChI=1S/C12H6BrN3S/c13-12-9(6-14)11(17-16-12)8-1-2-10-7(5-8)3-4-15-10/h1-5,15H
InChIKey PSFVSLXVRHYVKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200196m
Molecular Weight 304.165 g/mol
SMILES [nH]1c2ccc(cc2cc1)-c1c(c(ns1)Br)C#N
SPLASH splash10-0zgi-2609000000-695769ac4a58f605e4ff
Source of Spectrum A1-13-1510/SM12-2p
Synonyms 3-Bromo-5-(1H-indol-5-yl)isothiazole-4-carbonitrile
Wiley ID 1752963