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3-(o-Tolyl)benzo[b]thiophene
SpectraBase Compound ID 9v7OsUUuni2
InChI InChI=1S/C15H12S/c1-11-6-2-3-7-12(11)14-10-16-15-9-5-4-8-13(14)15/h2-10H,1H3
InChIKey NLGOHBSCADRXCG-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C15H12S
Exact Mass 224.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ES0DrxNVWfa
Name 3-(o-Tolyl)benzo[b]thiophene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.065971560 u
Formula C15H12S
InChI InChI=1S/C15H12S/c1-11-6-2-3-7-12(11)14-10-16-15-9-5-4-8-13(14)15/h2-10H,1H3
InChIKey NLGOHBSCADRXCG-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 224.321 g/mol
Quality 2
SMILES C1=CC2=C(C=C1)SC=C2C1=C(C=CC=C1)C
SPLASH splash10-00di-0190000000-530db96ce2cdb7cb7a87
Source of Spectrum ACI-56-SM7-S1j (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.28 (pentane)
Wiley ID 1895807