Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C9H17NOS/c1-8(2,3)12(10,11)9-4-7(5-9)6-9/h7,10H,4-6H2,1-3H3
SMILES	CC(S(=O)(=N)C12CC(C1)C2)(C)C
InChI Key	PLJOXMUHAAQZQY-UHFFFAOYSA-N
Molecular Formula	C9H17NOS
Exact Mass	187.302 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PLJOXMUHAAQZQY-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/PLJOXMUHAAQZQY-UHFFFAOYSA-N/CHMO0000593
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:22:59.746831
MetadataModified	2024-09-07T16:54:21.595996
MetadataPublished	2020-02-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
145926393	PubChem
The data in this table is sourced from UniChem at EBI.