Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H24OS2/c1-3-4-8-16(13-14(2)19)17(18-20-11-12-21-18)15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-13H2,1-2H3
SMILES	CCCCC(C(=C1SCCS1)c1ccccc1)CC(=O)C
InChI Key	XLPWXCGXHOGTNX-UHFFFAOYSA-N
Molecular Formula	C18H24OS2
Exact Mass	320.513 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XLPWXCGXHOGTNX-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/XLPWXCGXHOGTNX-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:21:32.387364
MetadataModified	2024-09-07T14:16:26.933520
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053729	PubChem
The data in this table is sourced from UniChem at EBI.