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N-heptyl-2-sulfanylidene-1H-pyridine-3-carbothioamide
SpectraBase Compound ID DC2ejhXnELD
InChI InChI=1S/C13H20N2S2/c1-2-3-4-5-6-9-14-12(16)11-8-7-10-15-13(11)17/h7-8,10H,2-6,9H2,1H3,(H,14,16)(H,15,17)
InChIKey XBGLFDQEPUMIDA-UHFFFAOYSA-N
Mol Weight 268.44 g/mol
Molecular Formula C13H20N2S2
Exact Mass 268.106791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LARoBgQ6sPs
Name N-heptyl-2-sulfanylidene-1H-pyridine-3-carbothioamide
Alternate Name(s) N-heptyl-2-thioxo-1H-pyridine-3-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2S2
InChI InChI=1S/C13H20N2S2/c1-2-3-4-5-6-9-14-12(16)11-8-7-10-15-13(11)17/h7-8,10H,2-6,9H2,1H3,(H,14,16)(H,15,17)
InChIKey XBGLFDQEPUMIDA-UHFFFAOYSA-N
Molecular Weight 268.437 g/mol
SMILES N1C=CC=C(C(NCCCCCCC)=S)C1=S
SPLASH splash10-0kur-3970000000-76c93f8ac81ebb4a52b2
Source of Spectrum F2-43-203-2
Wiley ID 1600536