Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C8H7NO6S/c1-14-7(10)5-3-4(9(12)13)6(16-5)8(11)15-2/h3H,1-2H3
SMILES	COC(=O)c1cc(c(s1)C(=O)OC)[N+](=O)[O-]
InChI Key	YWBOQVIGDBXVPY-UHFFFAOYSA-N
Exact Mass	245.209 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YWBOQVIGDBXVPY-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/YWBOQVIGDBXVPY-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-08-21 starting time : 23:57:42 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25225 id : 355780 Solvent : CDCl3 temperature : 297.987730760451 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
ZINC000095494795	ZINC
68558264	PubChem
SCHEMBL3231061	SureChEMBL
The data in this table is sourced from UniChem at EBI.