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2-(Phenylsulfonyl)-3-(thiophen-2-yl)propanenitrile
SpectraBase Compound ID EZ0nRdeHyg5
InChI InChI=1S/C13H11NO2S2/c14-10-13(9-11-5-4-8-17-11)18(15,16)12-6-2-1-3-7-12/h1-8,13H,9H2
InChIKey XFGJRZVTEQEUKS-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C13H11NO2S2
Exact Mass 277.023121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH05SDtwr0v
Name 2-(Phenylsulfonyl)-3-(thiophen-2-yl)propanenitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.023120944 u
Formula C13H11NO2S2
InChI InChI=1S/C13H11NO2S2/c14-10-13(9-11-5-4-8-17-11)18(15,16)12-6-2-1-3-7-12/h1-8,13H,9H2
InChIKey XFGJRZVTEQEUKS-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.202005400
Quality 208
Reported Formula C13H11NO2S2
SMILES C1=CC=C(C=C1)S(C(CC=1SC=CC1)C#N)(=O)=O
SPLASH splash10-000i-3900000000-9ef514606e511a4b3b52
Source of Spectrum QE-27-SM7-1k (DOI: 10.1002/chem.202005400)
Thin-Layer Chromatography 0.5 (pentane/CH2Cl2, 1:5)
Wiley ID 1902077