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2-Phenyl-2-pentadeuterophenyldithiane
SpectraBase Compound ID CWluiejzZ2R
InChI InChI=1S/C16H16S2/c1-3-7-14(8-4-1)16(13-17-11-12-18-16)15-9-5-2-6-10-15/h1-10H,11-13H2/i1D,3D,4D,7D,8D
InChIKey PBFLCRGLSNFUMT-DYVTXVBDSA-N
Mol Weight 277.45 g/mol
Molecular Formula C16H112D5S2
Exact Mass 277.100727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8z20KSFuUm2
Name 2-Phenyl-2-pentadeuterophenyldithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11D5S2
InChI InChI=1S/C16H16S2/c1-3-7-14(8-4-1)16(13-17-11-12-18-16)15-9-5-2-6-10-15/h1-10H,11-13H2/i1D,3D,4D,7D,8D
InChIKey PBFLCRGLSNFUMT-DYVTXVBDSA-N
Molecular Weight 277.455 g/mol
SMILES C1(SCCSC1)(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])c1ccccc1
SPLASH splash10-0v00-2960000000-25a99c740368542bcd26
Source of Spectrum O-30-461-0
Wiley ID 1276315