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3-(PARA-BROMOPHENYL)-4,1-BENZOXATHIEPIN

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3-(PARA-BROMOPHENYL)-4,1-BENZOXATHIEPIN
SpectraBase Compound ID LcISmJmL9Ce
InChI InChI=1S/C15H13BrOS/c16-13-7-5-11(6-8-13)14-10-18-15-4-2-1-3-12(15)9-17-14/h1-8,14H,9-10H2
InChIKey AGWMSTBOFSXRFZ-UHFFFAOYSA-N
Mol Weight 321.23 g/mol
Molecular Formula C15H13BrOS
Exact Mass 319.987049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPuMjwWzsn
Name 3-(4-bromophenyl)-3,5-dihydro-2H-4,1-benzoxathiepin
Comments Less than 3 mono-isotopic peaks
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Formula C15H13BrOS
InChI InChI=1S/C15H13BrOS/c16-13-7-5-11(6-8-13)14-10-18-15-4-2-1-3-12(15)9-17-14/h1-8,14H,9-10H2
InChIKey AGWMSTBOFSXRFZ-UHFFFAOYSA-N
Molecular Weight 321.232 g/mol
SMILES c12SCC(OCc2cccc1)c1ccc(cc1)Br
SPLASH splash10-0udi-0901000000-db1b0d86f74368ae0987
Source of Spectrum SK-26-4473-18
Synonyms 3-(4-bromophenyl)-3,5-dihydro-2H-4,1-benzoxathiepine
Wiley ID 867547