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6-methyl-4-benzo[g][1]benzothiolecarbonitrile
SpectraBase Compound ID fk2MBhnX3T
InChI InChI=1S/C14H9NS/c1-9-3-2-4-12-13(9)7-10(8-15)11-5-6-16-14(11)12/h2-7H,1H3
InChIKey GKKKBXIZJQGZID-UHFFFAOYSA-N
Mol Weight 223.29 g/mol
Molecular Formula C14H9NS
Exact Mass 223.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24IrDxfccbk
Name 6-methyl-4-benzo[g][1]benzothiolecarbonitrile
CAS Registry Number 107971-30-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NS
InChI InChI=1S/C14H9NS/c1-9-3-2-4-12-13(9)7-10(8-15)11-5-6-16-14(11)12/h2-7H,1H3
InChIKey GKKKBXIZJQGZID-UHFFFAOYSA-N
Molecular Weight 223.293 g/mol
SMILES c12c(c(C#N)cc3c2cccc3C)ccs1
SPLASH splash10-00di-0090000000-0e81faa3ee1a40bd62cd
Source of Spectrum Y-23-1231-30
Synonyms 6-methylbenzo[g]benzothiophene-4-carbonitrile 6-methylbenzo[g][1]benzothiole-4-carbonitrile
Wiley ID 1224143