Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H18O2S2/c1-18-15-7-3-13(4-8-15)17(20-11-12-21-17)14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
SMILES	COc1ccc(cc1)C1(SCCS1)c1ccc(cc1)OC
InChI Key	DVILRWCASZFRHP-UHFFFAOYSA-N
Molecular Formula	C17H18O2S2
Exact Mass	318.454 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DVILRWCASZFRHP-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/DVILRWCASZFRHP-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:46:34.415312
MetadataModified	2024-09-07T13:06:06.221403
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
12886326	PubChem
SCHEMBL18288047	SureChEMBL
The data in this table is sourced from UniChem at EBI.