Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
SMILES	CC(C(=C1SCCS1)c1ccccc1)CC(=O)C
InChI Key	RCALJRZMLQRHLX-UHFFFAOYSA-N
Molecular Formula	C15H18OS2
Exact Mass	278.433 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/RCALJRZMLQRHLX-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/RCALJRZMLQRHLX-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:21:23.018672
MetadataModified	2024-09-07T14:16:08.574628
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053728	PubChem
The data in this table is sourced from UniChem at EBI.