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1,3,4-Thiadiazole, 2,2'-[(4,6-dinitro-1,3-phenylene)bis(thio)]bis[5-(methyl-D3-thio)-
SpectraBase Compound ID F60BSWAEZHa
InChI InChI=1S/C12H8N6O4S6/c1-23-9-13-15-11(27-9)25-7-4-8(26-12-16-14-10(24-2)28-12)6(18(21)22)3-5(7)17(19)20/h3-4H,1-2H3/i1D3,2D3
InChIKey JCXHVNKKIKYMEG-WFGJKAKNSA-N
Mol Weight 498.6 g/mol
Molecular Formula C12H22D6N6O4S6
Exact Mass 497.93079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZTen2dXaXj
Name 1,3,4-Thiadiazole, 2,2'-[(4,6-dinitro-1,3-phenylene)bis(thio)]bis[5-(methyl-D3-thio)-
CAS Registry Number 98618-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H2D6N6O4S6
InChI InChI=1S/C12H8N6O4S6/c1-23-9-13-15-11(27-9)25-7-4-8(26-12-16-14-10(24-2)28-12)6(18(21)22)3-5(7)17(19)20/h3-4H,1-2H3/i1D3,2D3
InChIKey JCXHVNKKIKYMEG-WFGJKAKNSA-N
Molecular Weight 498.631 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)c(cc1Sc1sc(SC([2D])([2D])[2D])nn1)Sc1sc(SC([2D])([2D])[2D])nn1
SPLASH splash10-003u-9212200000-ff7ae6d36ad574a1129e
Source of Spectrum O-20-395-9
Synonyms 1,3-bis(2-(5-trideuteromethylthio-1,3,4-thiadiazolyl)thio)-4,6-dinitrobenzene
Wiley ID 1397455