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2-[(4-chlorobenzyl)thio]-5-ethyl-3-nitro-thiophene
SpectraBase Compound ID KOU4yAULMHo
InChI InChI=1S/C13H12ClNO2S2/c1-2-11-7-12(15(16)17)13(19-11)18-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3
InChIKey AJFURIBXDGNQOG-UHFFFAOYSA-N
Mol Weight 313.82 g/mol
Molecular Formula C13H12ClNO2S2
Exact Mass 312.999799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UveunonC5d
Name 2-[(4-chlorobenzyl)thio]-5-ethyl-3-nitro-thiophene
Alternate Name(s) 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-3-nitro-thiophene 2-[(4-chlorophenyl)methylthio]-5-ethyl-3-nitrothiophene
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Formula C13H12ClNO2S2
InChI InChI=1S/C13H12ClNO2S2/c1-2-11-7-12(15(16)17)13(19-11)18-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3
InChIKey AJFURIBXDGNQOG-UHFFFAOYSA-N
Molecular Weight 313.817 g/mol
SMILES c1(c(sc(c1)CC)SCc1ccc(cc1)Cl)N(=O)=O
SPLASH splash10-004i-0900000000-c3264b3edc74c70cc217
Source of Spectrum Y-35-1524-5
Wiley ID 1314049