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

View entire compound with spectra: 1 MS (GC)

4-(2-(3-Oxocyclohexyl)-1,3-dithian-2-yl)benzonitrile
SpectraBase Compound ID 3Dho5MJSaIq
InChI InChI=1S/C17H19NOS2/c18-12-13-5-7-14(8-6-13)17(20-9-2-10-21-17)15-3-1-4-16(19)11-15/h5-8,15H,1-4,9-11H2
InChIKey XESIVLYBPRWNIM-UHFFFAOYSA-N
Mol Weight 317.47 g/mol
Molecular Formula C17H19NOS2
Exact Mass 317.090807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51HVxDkvru3
Name 4-(2-(3-Oxocyclohexyl)-1,3-dithian-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NOS2
InChI InChI=1S/C17H19NOS2/c18-12-13-5-7-14(8-6-13)17(20-9-2-10-21-17)15-3-1-4-16(19)11-15/h5-8,15H,1-4,9-11H2
InChIKey XESIVLYBPRWNIM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403041k
Molecular Weight 317.465 g/mol
SMILES C1(C2CC(CCC2)=O)(SCCCS1)c1ccc(cc1)C#N
SPLASH splash10-00di-0590000000-354dee1fccc936ad70b3
Source of Spectrum A1-16-70/SMS21-3k
Wiley ID 1747620