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2-(2-Nitrophenyl)benzo[b]thiophene
SpectraBase Compound ID IBFmBIPzc4E
InChI InChI=1S/C14H9NO2S/c16-15(17)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)18-14/h1-9H
InChIKey MOCCSJNEVJIOGJ-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C14H9NO2S
Exact Mass 255.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UPhrel2d7e
Name 2-(2-Nitrophenyl)benzo[b]thiophene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.035399706 u
Formula C14H9NO2S
GC Column HP-5MS
InChI InChI=1S/C14H9NO2S/c16-15(17)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)18-14/h1-9H
InChIKey MOCCSJNEVJIOGJ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 or Thermo Scientific Trace 1300 Series-ISQ Single Quadrupole
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102000
Molecular Weight 255.291 g/mol
Quality 21
SMILES C1([N+](=O)[O-])=C(C=CC=C1)C1=CC2=C(S1)C=CC=C2
SPLASH splash10-0a4i-0290000000-e1a5f1863d09f7737b03
Source of Spectrum QE-27-SM5-15 (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.38 (hexane/EtOAc, 5:1)
Wiley ID 1904103