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1,2-Bis(2,4-dinitrophenylthiomethyl)-1-cyclohexene
SpectraBase Compound ID 4aeLIcdZ2DS
InChI InChI=1S/C20H18N4O8S2/c25-21(26)15-5-7-19(17(9-15)23(29)30)33-11-13-3-1-2-4-14(13)12-34-20-8-6-16(22(27)28)10-18(20)24(31)32/h5-10H,1-4,11-12H2
InChIKey PSUZXWOCNOCMDM-UHFFFAOYSA-N
Mol Weight 506.5 g/mol
Molecular Formula C20H18N4O8S2
Exact Mass 506.056606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30ZpVE7PiNK
Name 1-([(2-([(2,4-Dinitrophenyl)sulfanyl]methyl)-1-cyclohexen-1-yl)methyl]sulfanyl)-2,4-dinitrobenzene
Alternate Name(s) 1,2-Bis[[(2,4-dinitrophenyl)thio]methyl]-1-cyclohexene 1-[[2-[(2,4-dinitrophenyl)sulfanylmethyl]cyclohexen-1-yl]methylsulfanyl]-2,4-dinitro-benzene 1-[[2-[[(2,4-dinitrophenyl)thio]methyl]-1-cyclohexenyl]methylthio]-2,4-dinitrobenzene 1-[[2-[[(2,4-dinitrophenyl)thio]methyl]cyclohexen-1-yl]methylthio]-2,4-dinitro-benzene
CAS Registry Number 55370-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O8S2
InChI InChI=1S/C20H18N4O8S2/c25-21(26)15-5-7-19(17(9-15)23(29)30)33-11-13-3-1-2-4-14(13)12-34-20-8-6-16(22(27)28)10-18(20)24(31)32/h5-10H,1-4,11-12H2
InChIKey PSUZXWOCNOCMDM-UHFFFAOYSA-N
Molecular Weight 506.504 g/mol
SMILES c1cc(c(cc1N(=O)=O)N(=O)=O)SCC=1CCCCC1CSc1ccc(cc1N(=O)=O)N(=O)=O
SPLASH splash10-0a4i-9701000000-22803b37167d011914f2
Source of Spectrum W5-1989-9461-1
Wiley ID 1399765