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4-(1,3-Dithian-2-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(1,3-Dithian-2-yl)benzonitrile
SpectraBase Compound ID F7h4FlJyoNB
InChI InChI=1S/C11H11NS2/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h2-5,11H,1,6-7H2
InChIKey HJKDEHIETWUANJ-UHFFFAOYSA-N
Mol Weight 221.34 g/mol
Molecular Formula C11H11NS2
Exact Mass 221.033292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RvjZdZlQ6T
Name 4-(1,3-Dithian-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NS2
InChI InChI=1S/C11H11NS2/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h2-5,11H,1,6-7H2
InChIKey HJKDEHIETWUANJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403313h
Molecular Weight 221.336 g/mol
SMILES c1cc(ccc1C1SCCCS1)C#N
SPLASH splash10-00di-6690000000-1e7c157f159c5185d677
Source of Spectrum A1-16-1036/SM-2c
Synonyms 4-(1,3-dithian-2-yl)benzenecarbonitrile
Wiley ID 1749098