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4H-3,1-BENZOXATHIIN-2,2-DI-CARBOXYLIC-ACID,DIETHYLESTER
SpectraBase Compound ID 2iytaOH9xTt
InChI InChI=1S/C14H16O5S/c1-3-17-12(15)14(13(16)18-4-2)19-9-10-7-5-6-8-11(10)20-14/h5-8H,3-4,9H2,1-2H3
InChIKey XFCJGDPYAYLJNW-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C14H16O5S
Exact Mass 296.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Up1OA1NHvY
Name Diethyl 4H-3,1-benzoxathiine-2,2-dicarboxylate
CAS Registry Number 108288-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O5S
InChI InChI=1S/C14H16O5S/c1-3-17-12(15)14(13(16)18-4-2)19-9-10-7-5-6-8-11(10)20-14/h5-8H,3-4,9H2,1-2H3
InChIKey XFCJGDPYAYLJNW-UHFFFAOYSA-N
Molecular Weight 296.337 g/mol
SMILES C1(Sc2ccccc2CO1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-00di-0950000000-d5ed95c8f4709f63cfd3
Source of Spectrum K-123-1146-4
Synonyms Diethyl 4H-3,1-benzoxathiin-2,2-dicarboxylate
Wiley ID 1298770