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3-(PARA-CHLOROPHENYL)-4,1-BENZOXATHIEPIN-5-ONE
SpectraBase Compound ID Lm5i9BoJUJj
InChI InChI=1S/C15H11ClO2S/c16-11-7-5-10(6-8-11)13-9-19-14-4-2-1-3-12(14)15(17)18-13/h1-8,13H,9H2
InChIKey NUZUYPPTMWYEOS-UHFFFAOYSA-N
Mol Weight 290.76 g/mol
Molecular Formula C15H11ClO2S
Exact Mass 290.016828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYvavIDJNFr
Name 3-(4-chlorophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H11ClO2S
InChI InChI=1S/C15H11ClO2S/c16-11-7-5-10(6-8-11)13-9-19-14-4-2-1-3-12(14)15(17)18-13/h1-8,13H,9H2
InChIKey NUZUYPPTMWYEOS-UHFFFAOYSA-N
Molecular Weight 290.764 g/mol
SMILES C1(OC(CSc2c1cccc2)c1ccc(cc1)Cl)=O
SPLASH splash10-014i-0910000000-193b2a41e01abc65d93e
Source of Spectrum SK-26-4471-15
Wiley ID 867550