2-(3,4,5-Trimethoxyphenyl)-4H-3,1-benzoxathiin-4-one

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Systematic / IUPAC Name: 2-(3,4,5-Trimethoxyphenyl)-4H-3,1-benzoxathiin-4-one

ID: Reference4187

Other Names:

Formula: C17H16O5S

Spectral Data

2-(3,4,5-Trimethoxyphenyl)-4H-3,1-benzoxathiin-4-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/14/2016 12:12:31 PM
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Identificators

InChI InChI=1S/C17H16O5S/c1-19-12-8-10(9-13(20-2)15(12)21-3)17-22-16(18)11-6-4-5-7-14(11)23-17/h4-9,17H,1-3H3
InChI Key OMVXBNMLTNAIPZ-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C2OC(=O)C3=CC=CC=C3S2
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Other Names

In Other Databases

ChEMBL CHEMBL1733508
ChemSpider 2013188
PubChem 2731295