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Benzene, [(1-nitro-1-hexenyl)thio]-, (Z)-
SpectraBase Compound ID KWLfhqwMVxR
InChI InChI=1S/C12H15NO2S/c1-2-3-5-10-12(13(14)15)16-11-8-6-4-7-9-11/h4,6-10H,2-3,5H2,1H3/b12-10+
InChIKey YVCRFYSRHJJTFC-ZRDIBKRKSA-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 DNCqcqMdu81
Name Benzene, [(1-nitro-1-hexenyl)thio]-, (Z)-
Alternate Name(s) (1E)-1-nitro-1-hexenyl phenyl sulfide 1-Nitro-1-phenylthio-1-hexene {[(1E)-1-nitro-1-hexenyl]sulfanyl}benzene
CAS Registry Number 132364-56-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-2-3-5-10-12(13(14)15)16-11-8-6-4-7-9-11/h4,6-10H,2-3,5H2,1H3/b12-10+
InChIKey YVCRFYSRHJJTFC-ZRDIBKRKSA-N
Molecular Weight 237.317 g/mol
SMILES c1(S\C(N(=O)=O)=C/CCCC)ccccc1
SPLASH splash10-0006-0940000000-924d2a555799e77b7f9e
Source of Spectrum F-46-7436-1
Wiley ID 1239414