Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C20H20N2O6S2/c1-5-27-15-13(19(23)25-3)29-17(21-15)11-8-7-9-12(10-11)18-22-16(28-6-2)14(30-18)20(24)26-4/h7-10H,5-6H2,1-4H3
SMILES	CCOc1nc(sc1C(=O)OC)c1cccc(c1)c1nc(c(s1)C(=O)OC)OCC
InChI Key	OMBVCHPBXKBKBC-UHFFFAOYSA-N
Molecular Formula	C20H20N2O6S2
Exact Mass	448.513 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OMBVCHPBXKBKBC-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/OMBVCHPBXKBKBC-UHFFFAOYSA-N/CHMO0000593
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:13:19.566431
MetadataModified	2024-09-07T20:38:46.879685
MetadataPublished	2021-10-21
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
156619918	PubChem
The data in this table is sourced from UniChem at EBI.