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LMGBAGZYSFICDQ-UHFFFAOYSA-N
SpectraBase Compound ID 2ZEYnBkBkob
InChI InChI=1S/C9H6N2S/c1-6-11-8-4-7(5-10)2-3-9(8)12-6/h2-4H,1H3
InChIKey LMGBAGZYSFICDQ-UHFFFAOYSA-N
Mol Weight 174.22 g/mol
Molecular Formula C9H6N2S
Exact Mass 174.025169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qst7IWwFvE
Name 2-Methyl-5-benzothiazolecarbonitrile
Alternate Name(s) 2-Methylbenzo[d]thiazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2S
InChI InChI=1S/C9H6N2S/c1-6-11-8-4-7(5-10)2-3-9(8)12-6/h2-4H,1H3
InChIKey LMGBAGZYSFICDQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1028892
Molecular Weight 174.221 g/mol
SMILES c1c2sc(nc2cc(c1)C#N)C
SPLASH splash10-00di-0900000000-e946a99bd6990f5db130
Source of Spectrum A1-13-648/SMS9-Table2,entry13
Wiley ID 1749863