Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C19H26OS2/c1-3-4-9-17(14-15(2)20)18(16-10-6-5-7-11-16)19-21-12-8-13-22-19/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
SMILES	CCCCC(C(=C1SCCCS1)c1ccccc1)CC(=O)C
InChI Key	UOHJUSHNULFLRZ-UHFFFAOYSA-N
Molecular Formula	C19H26OS2
Exact Mass	334.539 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOHJUSHNULFLRZ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/UOHJUSHNULFLRZ-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:24:29.605987
MetadataModified	2024-09-07T14:21:24.761993
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083261	PubChem
The data in this table is sourced from UniChem at EBI.