Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H18OS2/c17-14-8-4-7-13(11-14)15(16-18-9-10-19-16)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
SMILES	O=C1CCCC(C1)C(=C1SCCS1)c1ccccc1
InChI Key	XDXILYAJVPWYNR-UHFFFAOYSA-N
Molecular Formula	C16H18OS2
Exact Mass	290.444 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/XDXILYAJVPWYNR-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/XDXILYAJVPWYNR-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:27:30.229836
MetadataModified	2024-09-07T14:25:58.862505
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083280	PubChem
The data in this table is sourced from UniChem at EBI.