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4-(PARA-METHOXYPHENYL)-1,5-BENZOXATHIEPIN-2-ONE
SpectraBase Compound ID D7IQenx7DUI
InChI InChI=1S/C16H14O3S/c1-18-12-8-6-11(7-9-12)15-10-16(17)19-13-4-2-3-5-14(13)20-15/h2-9,15H,10H2,1H3
InChIKey WJMNIVKPKYPAKZ-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C16H14O3S
Exact Mass 286.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YiskKrSd55
Name 4-(4-methoxyphenyl)-3,4-dihydro-1,5-benzoxathiepin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H14O3S
InChI InChI=1S/C16H14O3S/c1-18-12-8-6-11(7-9-12)15-10-16(17)19-13-4-2-3-5-14(13)20-15/h2-9,15H,10H2,1H3
InChIKey WJMNIVKPKYPAKZ-UHFFFAOYSA-N
Molecular Weight 286.345 g/mol
SMILES C1(Sc2c(OC(C1)=O)cccc2)c1ccc(cc1)OC
SPLASH splash10-03di-0910000000-75148861f67053c69fd0
Source of Spectrum SK-26-4471-10
Wiley ID 867552