Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3
SMILES	CC(C(C(=C1SCCS1)c1ccccc1)CC(=O)C)C
InChI Key	AJUPULBPXRSZPK-UHFFFAOYSA-N
Molecular Formula	C17H22OS2
Exact Mass	306.486 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/AJUPULBPXRSZPK-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/AJUPULBPXRSZPK-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:21:39.367633
MetadataModified	2024-09-07T14:16:50.740154
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053731	PubChem
The data in this table is sourced from UniChem at EBI.