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2,2'-Bis(propylthio)-6,6'-dinitrobiphenyl
SpectraBase Compound ID 1YQW6neSKTk
InChI InChI=1S/C18H20N2O4S2/c1-3-11-25-15-9-5-7-13(19(21)22)17(15)18-14(20(23)24)8-6-10-16(18)26-12-4-2/h5-10H,3-4,11-12H2,1-2H3
InChIKey CEQZLMKRTWYNPT-UHFFFAOYSA-N
Mol Weight 392.49 g/mol
Molecular Formula C18H20N2O4S2
Exact Mass 392.086449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dr1VpDHwsoS
Name 2,2'-Bis(propylthio)-6,6'-dinitrobiphenyl
Comments Less than 3 mono-isotopic peaks
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Formula C18H20N2O4S2
InChI InChI=1S/C18H20N2O4S2/c1-3-11-25-15-9-5-7-13(19(21)22)17(15)18-14(20(23)24)8-6-10-16(18)26-12-4-2/h5-10H,3-4,11-12H2,1-2H3
InChIKey CEQZLMKRTWYNPT-UHFFFAOYSA-N
Molecular Weight 392.488 g/mol
SMILES c1(c(cccc1N(=O)=O)SCCC)-c1c(cccc1N(=O)=O)SCCC
SPLASH splash10-0007-0009000000-eed20ac32530eb1d7f6e
Source of Spectrum J-65-6395-4
Synonyms 2,2'-dinitro-6,6'-bis(propylsulfanyl)-1,1'-biphenyl 1-nitro-2-(2-nitro-6-propylsulfanylphenyl)-3-propylsulfanylbenzene 1-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)-3-propylsulfanyl-benzene
Wiley ID 1533255