Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H17NO2S/c1-19-9-10-20-13-7-8-15-16(11-13)18-12-17(15)21-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3
SMILES	COCCOc1ccc2c(c1)[nH]cc2Sc1ccccc1
InChI Key	CATGSNBERVFLMC-UHFFFAOYSA-N
Molecular Formula	C17H17NO2S
Exact Mass	299.387 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CATGSNBERVFLMC-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CATGSNBERVFLMC-UHFFFAOYSA-N/CHMO0000593
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:24:31.574068
MetadataModified	2024-09-08T01:24:31.574073
MetadataPublished	2023-07-31

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

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.