Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H11NO2S/c1-2-15-11-10(8-14)16-12(13-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
SMILES	CCOc1nc(sc1C=O)c1ccccc1
InChI Key	JRVAJRFYXDELKJ-UHFFFAOYSA-N
Molecular Formula	C12H11NO2S
Exact Mass	233.286 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JRVAJRFYXDELKJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JRVAJRFYXDELKJ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:12:42.782418
MetadataModified	2024-09-07T20:37:55.922405
MetadataPublished	2021-10-20

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

Data-Source Molecule ID	Data-Source
156619916	PubChem
The data in this table is sourced from UniChem at EBI.