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4-(2-Benzyl-1,3-dithian-2-yl) benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(2-Benzyl-1,3-dithian-2-yl) benzonitrile
SpectraBase Compound ID DRcgqYL5Uim
InChI InChI=1S/C18H17NS2/c19-14-16-7-9-17(10-8-16)18(20-11-4-12-21-18)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2
InChIKey FCOLVIGINRACPK-UHFFFAOYSA-N
Mol Weight 311.46 g/mol
Molecular Formula C18H17NS2
Exact Mass 311.080242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6H1W706FT9
Name 4-(2-Benzyl-1,3-dithian-2-yl) benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NS2
InChI InChI=1S/C18H17NS2/c19-14-16-7-9-17(10-8-16)18(20-11-4-12-21-18)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-13H2
InChIKey FCOLVIGINRACPK-UHFFFAOYSA-N
Molecular Weight 311.461 g/mol
SMILES C1(SCCCS1)(c1ccc(C#N)cc1)Cc1ccccc1
SPLASH splash10-00dj-1490000000-64ef0b03da3180c18502
Source of Spectrum AT-54-1518-15
Synonyms 4-(2-benzyl-1,3-dithian-2-yl)benzonitrile 4-[2-(phenylmethyl)-1,3-dithian-2-yl]benzonitrile 4-[2-(phenylmethyl)-1,3-dithian-2-yl]benzenecarbonitrile
Wiley ID 1736514