Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H22O4S2/c1-5-25-21(23)19-11-17(13(3)27-19)15-7-9-16(10-8-15)18-12-20(28-14(18)4)22(24)26-6-2/h7-12H,5-6H2,1-4H3
SMILES	CCOC(=O)c1cc(c(s1)C)c1ccc(cc1)c1cc(sc1C)C(=O)OCC
InChI Key	VBRXSYWNZWFBAQ-UHFFFAOYSA-N
Molecular Formula	C22H22O4S2
Exact Mass	414.538 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VBRXSYWNZWFBAQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VBRXSYWNZWFBAQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:31:12.578902
MetadataModified	2024-09-07T18:26:27.880462
MetadataPublished	2020-08-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681766	PubChem
The data in this table is sourced from UniChem at EBI.