Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HMPLFCAOIJOKGX-WAYWQWQTSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/HMPLFCAOIJOKGX-WAYWQWQTSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-08-17 starting time : 03:18:56 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25327 id : 355643 Solvent : CDCl3 temperature : 297.993719237433 K PULPROG : hmbcgpndqf number of scans : 8 scans 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.