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2-Benzylbenzo[b]thiophene

View entire compound with spectra: 1 MS (GC)

2-Benzylbenzo[b]thiophene
SpectraBase Compound ID 6xd78RNTycz
InChI InChI=1S/C15H12S/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15(13)16-14/h1-9,11H,10H2
InChIKey ICSJVDUSLIMVNZ-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 L1SqwLEbKrk
Name 2-Benzylbenzo[b]thiophene
Appearance Colorless prisms
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.065971560 u
Formula C15H12S
InChI InChI=1S/C15H12S/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15(13)16-14/h1-9,11H,10H2
InChIKey ICSJVDUSLIMVNZ-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 224.321 g/mol
Quality 122
SMILES C1=CC2=C(C=C1)SC(=C2)CC1=CC=CC=C1
SPLASH splash10-00di-0390000000-12d0c4c4312ef877ac90
Source of Spectrum ACI-56-SM9-S3d (DOI: 10.1002/anie.201701409)
Wiley ID 1895810