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(E,Z)-2-Methyl-3-nitro-1-[2-(phenylthio)ethenyl]benzene
SpectraBase Compound ID AIAnecyRGA9
InChI InChI=1S/C15H13NO2S/c1-12-13(6-5-9-15(12)16(17)18)10-11-19-14-7-3-2-4-8-14/h2-11H,1H3/b11-10+
InChIKey QQLSITVJUPYXQD-ZHACJKMWSA-N
Mol Weight 271.33 g/mol
Molecular Formula C15H13NO2S
Exact Mass 271.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsZupBOBJzD
Name (E,Z)-2-Methyl-3-nitro-1-[2-(phenylthio)ethenyl]benzene
CAS Registry Number 76499-36-0
Comments Less than 3 mono-isotopic peaks
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Formula C15H13NO2S
InChI InChI=1S/C15H13NO2S/c1-12-13(6-5-9-15(12)16(17)18)10-11-19-14-7-3-2-4-8-14/h2-11H,1H3/b11-10+
InChIKey QQLSITVJUPYXQD-ZHACJKMWSA-N
Molecular Weight 271.334 g/mol
SMILES c1(N(=O)=O)c(c(\C=C\Sc2ccccc2)ccc1)C
SPLASH splash10-014i-9000000000-8dc7833682b17219b18e
Source of Spectrum J-46-1754-0
Synonyms (E)-2-(2-methyl-3-nitrophenyl)ethenyl phenyl sulfide 2-methyl-1-nitro-3-[(E)-2-(phenylsulfanyl)ethenyl]benzene
Wiley ID 1275241