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1-[3-(Phenylpropyl)thio]-1-(methylthio)-2-nitroethene
SpectraBase Compound ID 76YqMsKmso9
InChI InChI=1S/C12H15NO2S2/c1-16-12(10-13(14)15)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+
InChIKey FHRXMPOBBFZKHF-ZRDIBKRKSA-N
Mol Weight 269.38 g/mol
Molecular Formula C12H15NO2S2
Exact Mass 269.054421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuYGFH8mK9x
Name 1-[3-(Phenylpropyl)thio]-1-(methylthio)-2-nitroethene
Alternate Name(s) (3-{[(E)-1-(methylsulfanyl)-2-nitroethenyl]sulfanyl}propyl)benzene 1-[(Phenylpropyl)thio]-1-(methylthio)-2-nitroethene
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Formula C12H15NO2S2
InChI InChI=1S/C12H15NO2S2/c1-16-12(10-13(14)15)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+
InChIKey FHRXMPOBBFZKHF-ZRDIBKRKSA-N
Molecular Weight 269.377 g/mol
SMILES CS\C(=C/N(=O)=O)SCCCc1ccccc1
SPLASH splash10-00mo-7920000000-a0b1af76c4c168f8b0da
Source of Spectrum K1-2001-1528-5
Wiley ID 814484