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2-Phenyl-1,3-dithiane

View entire compound with spectra: 21 NMR, 1 FTIR, and 11 MS (GC)

2-Phenyl-1,3-dithiane
SpectraBase Compound ID GfMt3JWSunD
InChI InChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
InChIKey GXKPARDRBFURON-UHFFFAOYSA-N
Mol Weight 196.33 g/mol
Molecular Formula C10H12S2
Exact Mass 196.038043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BGW5BgoEK
Name 2-Phenyl-1,3-dithiane
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.038042734 u
Formula C10H12S2
InChI InChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
InChIKey GXKPARDRBFURON-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 196.326 g/mol
Quality 205
SMILES C1(=CC=CC=C1)C1SCCCS1
SPLASH splash10-00dj-0900000000-780261e91cf463e58432
Source of Spectrum QE-29-SM72-2as (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.62 (PE/EtOAc, 95:5)
Wiley ID 1910281