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2-Methylbenzo[e]benzothiophene

View entire compound with spectra: 1 MS (GC)

2-Methylbenzo[e]benzothiophene
SpectraBase Compound ID 4EELzZdejxn
InChI InChI=1S/C13H10S/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9/h2-8H,1H3
InChIKey CLKHXEFJFULCEH-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 J7cyaeMOmJU
Name 2-Methylbenzo[e]benzothiophene
CAS Registry Number 16587-35-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10S
InChI InChI=1S/C13H10S/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9/h2-8H,1H3
InChIKey CLKHXEFJFULCEH-UHFFFAOYSA-N
Molecular Weight 198.283 g/mol
SMILES c12c(sc(c2)C)ccc2c1cccc2
SPLASH splash10-0002-0900000000-024faef3034e8168c444
Source of Spectrum Y-20-490-0
Synonyms 2-methylbenzo[e][1]benzothiole
Wiley ID 1196092