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1-[2-(Phenylethyl)thio]-1-(methylthio)-2-nitroethene
SpectraBase Compound ID JKuQmq0X4li
InChI InChI=1S/C11H13NO2S2/c1-15-11(9-12(13)14)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/b11-9+
InChIKey UMDFIOZSMVUNMP-PKNBQFBNSA-N
Mol Weight 255.35 g/mol
Molecular Formula C11H13NO2S2
Exact Mass 255.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ewz77mMjUK
Name 1-[2-(Phenylethyl)thio]-1-(methylthio)-2-nitroethene
Alternate Name(s) (2-{[(E)-1-(methylsulfanyl)-2-nitroethenyl]sulfanyl}ethyl)benzene 1-[(Phenylethyl)thio]-1-(methylthio)-2-nitroethene
Comments Less than 3 mono-isotopic peaks
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Formula C11H13NO2S2
InChI InChI=1S/C11H13NO2S2/c1-15-11(9-12(13)14)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/b11-9+
InChIKey UMDFIOZSMVUNMP-PKNBQFBNSA-N
Molecular Weight 255.350 g/mol
SMILES C(S\C(=C\N(=O)=O)SC)Cc1ccccc1
SPLASH splash10-0udi-0910000000-be59dfa861a5a7a118db
Source of Spectrum K1-2001-1528-5
Wiley ID 814485