Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H18OS2/c1-2-13(16)8-9-14(15-17-10-11-18-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
SMILES	CCC(=O)CCC(=C1SCCS1)c1ccccc1
InChI Key	MQHLDGLJNBYOQQ-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

Field	Value
DOI	10.14272/MQHLDGLJNBYOQQ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/MQHLDGLJNBYOQQ-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:21:46.227359
MetadataModified	2024-09-07T14:17:12.093253
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables