Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-
SMILES	[O-][N+](=O)/C(=C\c1cccs1)/C
InChI Key	HMPLFCAOIJOKGX-WAYWQWQTSA-N
Exact Mass	169.201 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HMPLFCAOIJOKGX-WAYWQWQTSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/HMPLFCAOIJOKGX-WAYWQWQTSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-08-17 Start time : 01:52:06 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-25327 ID : 355643 Solvent : CDCl3 Temperature : 298.000007138265 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEMBL4292945	chembl
14733044	surechembl
708806	pubchem
Molport-039-018-945	molport
The data in this table is sourced from UniChem at EBI.