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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 GGYX2dPTdbg
Name 1,3-Dithiane, 2-phenyl-
CAS Registry Number 5425-44-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 196.326 g/mol
SMILES C1(SCCCS1)c1ccccc1
SPLASH splash10-001i-0900000000-a277cddb6b1cb5aed310
Source of Spectrum OS-6-406-0
Synonyms m-Dithiane, 2-phenyl- 2-Phenyl-1,3-dithiane 2-Phenyl-m-dithiane BRN 0130879 EINECS 226-568-1 NSC 12763
Wiley ID 1192890