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3-(Methylthio)cinnoline
SpectraBase Compound ID HX4OQwUebOr
InChI InChI=1S/C9H8N2S/c1-12-9-6-7-4-2-3-5-8(7)10-11-9/h2-6H,1H3
InChIKey ZHTGAZGHUWJRGU-UHFFFAOYSA-N
Mol Weight 176.24 g/mol
Molecular Formula C9H8N2S
Exact Mass 176.040819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AH3h8pp16qD
Name 3-(Methylthio)cinnoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2S
InChI InChI=1S/C9H8N2S/c1-12-9-6-7-4-2-3-5-8(7)10-11-9/h2-6H,1H3
InChIKey ZHTGAZGHUWJRGU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol5001999
Molecular Weight 176.237 g/mol
SMILES c1ccc2c(c1)cc(nn2)SC
SPLASH splash10-004i-2900000000-3de998b454ab9756748a
Source of Spectrum A1-16-1232/SM11-5h
Synonyms 3-Methylsulfanylcinnoline
Wiley ID 1749224