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LMGBAGZYSFICDQ-UHFFFAOYSA-N

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5Mu50p5Ei3
Name 2-METHYLBENZOTHIAZOL-5-CARBONITRIL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 Author S.N.SAWHNEY,D.W.BOYKIN
Literature Reference Citation J.ORG.CHEM.,44,1136(1979)
Literature Reference DOI 10.1021/jo01321a024
Molecular Weight 174.220 g/mol
Solvent DMSO
Source File Reference UNIW9000