Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H12N2O2S/c1-10(9-13(2,11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
SMILES	CN(c1ccccc1)NS(=O)(=O)C
InChI Key	CNJKVABMOKYTFU-UHFFFAOYSA-N
Molecular Formula	C8H12N2O2S
Exact Mass	200.258 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CNJKVABMOKYTFU-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CNJKVABMOKYTFU-UHFFFAOYSA-N/CHMO0000593
Version
Author	João Macara
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:09:12.719695
MetadataModified	2024-09-08T00:04:26.986238
MetadataPublished	2023-01-02
Related Molecule

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

Data-Source Molecule ID	Data-Source
130726000	PubChem
SCHEMBL21602628	SureChEMBL
The data in this table is sourced from UniChem at EBI.