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4-Methylbenzo[e]benzothiophene

View entire compound with spectra: 1 MS (GC)

4-Methylbenzo[e]benzothiophene
SpectraBase Compound ID EW0IFyZI0nW
InChI InChI=1S/C13H10S/c1-9-8-10-4-2-3-5-11(10)12-6-7-14-13(9)12/h2-8H,1H3
InChIKey QBGXIBSLDLYOHS-UHFFFAOYSA-N
Mol Weight 198.28 g/mol
Molecular Formula C13H10S
Exact Mass 198.050321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXe1j7HGtOn
Name 4-Methylbenzo[e]benzothiophene
CAS Registry Number 67388-22-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10S
InChI InChI=1S/C13H10S/c1-9-8-10-4-2-3-5-11(10)12-6-7-14-13(9)12/h2-8H,1H3
InChIKey QBGXIBSLDLYOHS-UHFFFAOYSA-N
Molecular Weight 198.283 g/mol
SMILES c12c(c(C)cc3c2cccc3)scc1
SPLASH splash10-0002-0900000000-8dc1f4dea5d4e1fa94ae
Source of Spectrum Y-20-489-0
Synonyms 4-methylbenzo[e][1]benzothiole
Wiley ID 1196093