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1,5-bis(chloranyl)-3-(2,6-dinitrophenyl)-2,4-bis(propylsulfanyl)benzene
SpectraBase Compound ID IopcgW3gS0M
InChI InChI=1S/C18H18Cl2N2O4S2/c1-3-8-27-17-11(19)10-12(20)18(28-9-4-2)16(17)15-13(21(23)24)6-5-7-14(15)22(25)26/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey UERUIIGXVHPXDM-UHFFFAOYSA-N
Mol Weight 461.38 g/mol
Molecular Formula C18H18Cl2N2O4S2
Exact Mass 460.008505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsqdrdIdfQE
Name 1,5-bis(chloranyl)-3-(2,6-dinitrophenyl)-2,4-bis(propylsulfanyl)benzene
Comments Less than 3 mono-isotopic peaks
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Formula C18H18Cl2N2O4S2
InChI InChI=1S/C18H18Cl2N2O4S2/c1-3-8-27-17-11(19)10-12(20)18(28-9-4-2)16(17)15-13(21(23)24)6-5-7-14(15)22(25)26/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey UERUIIGXVHPXDM-UHFFFAOYSA-N
Molecular Weight 461.378 g/mol
SMILES c1(-c2c(c(Cl)cc(c2SCCC)Cl)SCCC)c(N(=O)=O)cccc1N(=O)=O
SPLASH splash10-0udi-0009500000-124cd6cc80f9b3422744
Source of Spectrum F-68-9586-44
Synonyms 1,5-dichloro-3-(2,6-dinitrophenyl)-2,4-bis(propylsulfanyl)benzene 1,5-dichloro-3-(2,6-dinitrophenyl)-2,4-bis(propylthio)benzene
Wiley ID 1573838