Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H24N2O6S2/c1-5-27-17-15(21(25)29-7-3)31-19(23-17)13-10-9-11-14(12-13)20-24-18(28-6-2)16(32-20)22(26)30-8-4/h9-12H,5-8H2,1-4H3
SMILES	CCOc1nc(sc1C(=O)OCC)c1cccc(c1)c1nc(c(s1)C(=O)OCC)OCC
InChI Key	JLPPEHSZLKOOOV-UHFFFAOYSA-N
Molecular Formula	C22H24N2O6S2
Exact Mass	476.566 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JLPPEHSZLKOOOV-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JLPPEHSZLKOOOV-UHFFFAOYSA-N/CHMO0000593
Version
Author	Uwe Ritter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:12:27.751693
MetadataModified	2024-09-07T20:37:35.165049
MetadataPublished	2021-10-20

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

Data-Source Molecule ID	Data-Source
156619914	PubChem
The data in this table is sourced from UniChem at EBI.