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(E)-3-Nitro-4-(4-methylphenylthia)-3-hexene
SpectraBase Compound ID 7ieQQuQ3xoC
InChI InChI=1S/C13H17NO2S/c1-4-12(14(15)16)13(5-2)17-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3/b13-12+
InChIKey LHOCQCUYIZUIJI-OUKQBFOZSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6OMsfzRjFd
Name (E)-3-Nitro-4-(4-methylphenylthia)-3-hexene
Alternate Name(s) (E)-3-(p-Tolylthio)-4-nitro-3-hexene (1E)-1-ethyl-2-nitro-1-butenyl 4-methylphenyl sulfide 1-((E)-1-Ethyl-2-nitro-but-1-enylsulfanyl)-4-methyl-benzene 1-{[(1E)-1-ethyl-2-nitro-1-butenyl]sulfanyl}-4-methylbenzene
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Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-4-12(14(15)16)13(5-2)17-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3/b13-12+
InChIKey LHOCQCUYIZUIJI-OUKQBFOZSA-N
Molecular Weight 251.344 g/mol
SMILES c1(S\C(=C/(N(=O)=O)CC)CC)ccc(cc1)C
SPLASH splash10-0fmi-2590000000-2fa38f88ccd02c74b02b
Source of Spectrum QB-10-609-8
Wiley ID 840901