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3-(m-Tolyl)benzo[b]thiophene
SpectraBase Compound ID 1XGatqz2OyF
InChI InChI=1S/C15H12S/c1-11-5-4-6-12(9-11)14-10-16-15-8-3-2-7-13(14)15/h2-10H,1H3
InChIKey GTBUGNUDCUEVRG-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 6JC1IDhkuWk
Name 3-(m-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/c1-11-5-4-6-12(9-11)14-10-16-15-8-3-2-7-13(14)15/h2-10H,1H3
InChIKey GTBUGNUDCUEVRG-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 224.321 g/mol
SMILES C1=CC2=C(C=C1)SC=C2C1=CC(=CC=C1)C
SPLASH splash10-00di-0090000000-c05c7535c466edecd525
Source of Spectrum ACI-56-SM7-S1i (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.26 (pentane)
Wiley ID 1895806