Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C18H22OS2/c1-13(19)15-9-5-6-10-16(15)17(18-20-11-12-21-18)14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12H2,1H3
SMILES	CC(=O)C1CCCCC1C(=C1SCCS1)c1ccccc1
InChI Key	RRIKWYIWYSETTC-UHFFFAOYSA-N
Molecular Formula	C18H22OS2
Exact Mass	318.497 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/RRIKWYIWYSETTC-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/RRIKWYIWYSETTC-UHFFFAOYSA-N/CHMO0000593
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:19:04.096013
MetadataModified	2024-09-07T21:58:06.797926
MetadataPublished	2022-03-11
Related Molecule

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

Data-Source Molecule ID	Data-Source
162640623	PubChem
The data in this table is sourced from UniChem at EBI.