Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C18H16N2O6S2/c1-3-25-17(23)11-13(21)19-15(27-11)9-6-5-7-10(8-9)16-20-14(22)12(28-16)18(24)26-4-2/h5-8,21-22H,3-4H2,1-2H3
SMILES	CCOC(=O)c1sc(nc1O)c1cccc(c1)c1nc(c(s1)C(=O)OCC)O
InChI Key	VQNXTBFBRGTADB-UHFFFAOYSA-N
Molecular Formula	C18H16N2O6S2
Exact Mass	420.459 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VQNXTBFBRGTADB-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/VQNXTBFBRGTADB-UHFFFAOYSA-N/CHMO0000593
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:13:11.861806
MetadataModified	2024-09-07T20:38:34.384569
MetadataPublished	2021-10-20
Related Molecule

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

Data-Source Molecule ID	Data-Source
156619917	PubChem
The data in this table is sourced from UniChem at EBI.