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2-Phenyl-5H-[4,1]-benzothiepine
SpectraBase Compound ID AEp5LMYeuXz
InChI InChI=1S/C15H12OS/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)17-15/h1-9,11H,10H2
InChIKey TYNQHQJICSOTCA-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C15H12OS
Exact Mass 240.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWCRS2eisFo
Name 2-Phenyl-5H-[4,1]-benzothiepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12OS
InChI InChI=1S/C15H12OS/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)17-15/h1-9,11H,10H2
InChIKey TYNQHQJICSOTCA-UHFFFAOYSA-N
Molecular Weight 240.320 g/mol
SMILES C=1(Sc2c(COC1)cccc2)c1ccccc1
SPLASH splash10-03di-0090000000-cdaa3c90a484b36189db
Source of Spectrum D1-2000-52-5
Synonyms 2-phenyl-5H-4,1-benzoxathiepin
Wiley ID 835505