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1-(3,4-Dichloro-2,5-dioxocyclopentenylidene)-3-methyl-7-(dimethylimino)-3-aza-5,6,8-trithiaoctan-4-thione-7-nium chloride
SpectraBase Compound ID 5QZYUazXeJ3
InChI InChI=1S/C12H11Cl2N2O2S4.ClH/c1-15(2)12-20-5(4-16(3)11(19)21-22-12)6-9(17)7(13)8(14)10(6)18;/h4H2,1-3H3;1H/q+1;/p-1
InChIKey HAINJPRQBLMIAV-UHFFFAOYSA-M
Mol Weight 449.8 g/mol
Molecular Formula C12H11Cl3N2O2S4
Exact Mass 447.876895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iJ9qXkknF1
Name 1-(3,4-Dichloro-2,5-dioxocyclopentenylidene)-3-methyl-7-(dimethylimino)-3-aza-5,6,8-trithiaoctan-4-thione-7-nium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11Cl3N2O2S4
InChI InChI=1S/C12H11Cl2N2O2S4.ClH/c1-15(2)12-20-5(4-16(3)11(19)21-22-12)6-9(17)7(13)8(14)10(6)18;/h4H2,1-3H3;1H/q+1;/p-1
InChIKey HAINJPRQBLMIAV-UHFFFAOYSA-M
Molecular Weight 449.831 g/mol
SMILES [Cl-].C1(C(C(Cl)=C(C1=O)Cl)=O)=C1SC(SSC(N(C1)C)=S)=[N+](C)C
SPLASH splash10-00g0-9200000000-7b769ea98175d133c5aa
Source of Spectrum O1-25-689-7
Wiley ID 1536628