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3-Nitro-4-(phenylthio)hex-3-ene
SpectraBase Compound ID 1pa7TBQoqo0
InChI InChI=1S/C12H15NO2S/c1-3-11(13(14)15)12(4-2)16-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b12-11-
InChIKey VSNNQJXQBWISDC-QXMHVHEDSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGPnJaBqByy
Name 3-Nitro-4-(phenylthio)hex-3-ene
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-3-11(13(14)15)12(4-2)16-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b12-11-
InChIKey VSNNQJXQBWISDC-QXMHVHEDSA-N
Molecular Weight 237.317 g/mol
SMILES c1(S\C(=C\(N(=O)=O)CC)CC)ccccc1
SPLASH splash10-0002-0930000000-236d5328a190d01d7758
Source of Spectrum J-59-7382-0
Synonyms (1Z)-1-ethyl-2-nitro-1-butenyl phenyl sulfide {[(1Z)-1-ethyl-2-nitro-1-butenyl]sulfanyl}benzene
Wiley ID 1239418