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2-Methyl-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile
SpectraBase Compound ID 4UDwy3FR50L
InChI InChI=1S/C11H11NS/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6H2,1H3
InChIKey XUUSDIALRGRPAW-UHFFFAOYSA-N
Mol Weight 189.28 g/mol
Molecular Formula C11H11NS
Exact Mass 189.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18TQuLBlWys
Name 2-Methyl-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile
CAS Registry Number 120783-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NS
InChI InChI=1S/C11H11NS/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6H2,1H3
InChIKey XUUSDIALRGRPAW-UHFFFAOYSA-N
Molecular Weight 189.276 g/mol
SMILES c12SC(CC(c2cccc1)C#N)C
SPLASH splash10-000j-0900000000-50bb071405ec92a2a952
Source of Spectrum KC-1988-3378-10
Synonyms 2-Methylthiochroman-4-carbonitrile 2-Methylthiochromane-4-carbonitrile
Wiley ID 1185737