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5-Allyl-4,6-dimethyl-2-sulfanylnicotinonitrile
SpectraBase Compound ID HDAXMVlTKuG
InChI InChI=1S/C11H12N2S/c1-4-5-9-7(2)10(6-12)11(14)13-8(9)3/h4H,1,5H2,2-3H3,(H,13,14)
InChIKey DTAKRPFXUUWVDI-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C11H12N2S
Exact Mass 204.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Q1bwzB1VtK
Name 5-Allyl-4,6-dimethyl-2-sulfanylnicotinonitrile
Alternate Name(s) 4,6-Dimethyl-5-prop-2-enyl-2-sulfanylidene-1H-pyridine-3-carbonitrile 5-Allyl-4,6-dimethyl-2-thioxo-1H-pyridine-3-carbonitrile Pyridine-3-carbonitrile, 5-allyl-4,6-dimeethyl-2-mercapto-
CAS Registry Number 186337-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2S
InChI InChI=1S/C11H12N2S/c1-4-5-9-7(2)10(6-12)11(14)13-8(9)3/h4H,1,5H2,2-3H3,(H,13,14)
InChIKey DTAKRPFXUUWVDI-UHFFFAOYSA-N
Molecular Weight 204.291 g/mol
SMILES Sc1c(c(c(c(C)n1)CC=C)C)C#N
SPLASH splash10-0udi-7930000000-fa2167f32022671a4417
Source of Spectrum AD-0-2532-0
Wiley ID 1427372