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

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Dataset

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

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

Chemical Information

molecular Image

InChI	InChI=1S/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3-
SMILES	[O-][N+](=O)/C=C\c1cccs1
InChI Key	UTPOWFFIBWOQRK-ARJAWSKDSA-N
Exact Mass	155.174 g/mol

Data and Resources

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

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Metadata Information

Field	Value
DOI	10.14272/UTPOWFFIBWOQRK-ARJAWSKDSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/UTPOWFFIBWOQRK-ARJAWSKDSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-08-16 starting time : 23:58:44 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25326 id : 355644 Solvent : CDCl3 temperature : 297.987670875681 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEMBL4285756	chembl
1712459	pubchem
The data in this table is sourced from UniChem at EBI.