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3-(Pyrimidin-2-ylsulfanyl)-1H-indole
SpectraBase Compound ID ErNWuiddqmT
InChI InChI=1S/C12H9N3S/c1-2-5-10-9(4-1)11(8-15-10)16-12-13-6-3-7-14-12/h1-8,15H
InChIKey VUHIAAYPPDQZAO-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C12H9N3S
Exact Mass 227.051718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuljFP4LN0a
Name 3-(Pyrimidin-2-ylsulfanyl)-1H-indole
Alternate Name(s) 3-(pyrimidin-2-ylthio)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3S
InChI InChI=1S/C12H9N3S/c1-2-5-10-9(4-1)11(8-15-10)16-12-13-6-3-7-14-12/h1-8,15H
InChIKey VUHIAAYPPDQZAO-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5CC05421D
Molecular Weight 227.285 g/mol
SMILES [nH]1c2ccccc2c(c1)Sc1ncccn1
SPLASH splash10-004i-3690000000-1b745baebecd61eda29f
Source of Spectrum KD-51-13898/SM18-2ag
Wiley ID 1800857