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2-(2,2-diketo-5,6-dihydrooxathiin-4-yl)benzoic acid methyl ester
SpectraBase Compound ID JuHu67CxVKO
InChI InChI=1S/C12H12O5S/c1-16-12(13)11-5-3-2-4-10(11)9-6-7-17-18(14,15)8-9/h2-5,8H,6-7H2,1H3
InChIKey KNYPWDKSSKODDQ-UHFFFAOYSA-N
Mol Weight 268.28 g/mol
Molecular Formula C12H12O5S
Exact Mass 268.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeKiEhlNMyE
Name 2-(2,2-diketo-5,6-dihydrooxathiin-4-yl)benzoic acid methyl ester
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Formula C12H12O5S
InChI InChI=1S/C12H12O5S/c1-16-12(13)11-5-3-2-4-10(11)9-6-7-17-18(14,15)8-9/h2-5,8H,6-7H2,1H3
InChIKey KNYPWDKSSKODDQ-UHFFFAOYSA-N
Molecular Weight 268.283 g/mol
SMILES C=1S(OCCC1c1c(C(=O)OC)cccc1)(=O)=O
SPLASH splash10-00di-0900000000-0a9b00e2d07294571aa3
Source of Spectrum H1-46-531-5
Synonyms 2-(2,2-dioxo-5,6-dihydrooxathiin-4-yl)benzoic acid methyl ester Methyl 2-(2,2-dioxo-5,6-dihydrooxathiin-4-yl)benzoate Methyl 2-[2,2-bis(oxidanylidene)-5,6-dihydro-1,2-oxathiin-4-yl]benzoate
Wiley ID 816008