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4,5,6,8-Tetradeuterio-[2.2]methaparacyclophane-bis(1,3-propanedithioketal)
SpectraBase Compound ID Diz76pMatE6
InChI InChI=1S/C22H24S4/c1-4-19-14-20(5-1)22(25-12-3-13-26-22)16-18-8-6-17(7-9-18)15-21(19)23-10-2-11-24-21/h1,4-9,14H,2-3,10-13,15-16H2/i1D,4D,5D,14D
InChIKey DNAPQZWAZXEYJS-JGEONXHGSA-N
Mol Weight 420.7 g/mol
Molecular Formula C22H202D4S4
Exact Mass 420.101192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8ESibfP5qK
Name 4,5,6,8-Tetradeuterio-[2.2]methaparacyclophane-bis(1,3-propanedithioketal)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20D4S4
InChI InChI=1S/C22H24S4/c1-4-19-14-20(5-1)22(25-12-3-13-26-22)16-18-8-6-17(7-9-18)15-21(19)23-10-2-11-24-21/h1,4-9,14H,2-3,10-13,15-16H2/i1D,4D,5D,14D
InChIKey DNAPQZWAZXEYJS-JGEONXHGSA-N
Molecular Weight 420.698 g/mol
SMILES C12(c3c(c(C4(SCCCS4)Cc4ccc(C1)cc4)c([2D])c(c3[2D])[2D])[2D])SCCCS2
SPLASH splash10-014i-5629100000-e9e3e3f199553995fe24
Source of Spectrum C-124-13079-D
Wiley ID 1700995