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4-[1-(Allylsulfanyl)-2-nitroethyl]-1,2-dimethoxybenzene
SpectraBase Compound ID 7fNVWGwscy3
InChI InChI=1S/C13H17NO4S/c1-4-7-19-13(9-14(15)16)10-5-6-11(17-2)12(8-10)18-3/h4-6,8,13H,1,7,9H2,2-3H3
InChIKey FOYZKYHIMQGHOA-UHFFFAOYSA-N
Mol Weight 283.34 g/mol
Molecular Formula C13H17NO4S
Exact Mass 283.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5CV05KgxC7
Name 4-[1-(Allylsulfanyl)-2-nitroethyl]-1,2-dimethoxybenzene
CAS Registry Number 128869-26-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO4S
InChI InChI=1S/C13H17NO4S/c1-4-7-19-13(9-14(15)16)10-5-6-11(17-2)12(8-10)18-3/h4-6,8,13H,1,7,9H2,2-3H3
InChIKey FOYZKYHIMQGHOA-UHFFFAOYSA-N
Molecular Weight 283.342 g/mol
SMILES C([N+]([O-])=O)C(c1cc(OC)c(cc1)OC)SCC=C
SPLASH splash10-00di-0090000000-b234b8d54eb8135e08e6
Source of Spectrum J-55-5507-7g
Synonyms 1,2-dimethoxy-4-(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene 1,2-dimethoxy-4-[2-nitro-1-(prop-2-enylthio)ethyl]benzene 4-[1-(allylthio)-2-nitro-ethyl]-1,2-dimethoxy-benzene Benzene, 1,2-dimethoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- 1,2-dimethoxy-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene
Wiley ID 1288777