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1-Nitro-3-phenyl-2-(2-thienyl)propane
SpectraBase Compound ID AwcfskNDXuN
InChI InChI=1S/C13H13NO2S/c15-14(16)10-12(13-7-4-8-17-13)9-11-5-2-1-3-6-11/h1-8,12H,9-10H2
InChIKey AICYZSGKINNIOG-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zXnnTmFeuY
Name 1-Nitro-3-phenyl-2-(2-thienyl)propane
Alternate Name(s) 2-(1-benzyl-2-nitroethyl)thiophene
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Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c15-14(16)10-12(13-7-4-8-17-13)9-11-5-2-1-3-6-11/h1-8,12H,9-10H2
InChIKey AICYZSGKINNIOG-UHFFFAOYSA-N
Molecular Weight 247.312 g/mol
SMILES C(N(=O)=O)C(c1sccc1)Cc1ccccc1
SPLASH splash10-0gvo-9770000000-057ee7fff89190188da7
Source of Spectrum F-54-807-5
Wiley ID 805325