Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H20OS2/c18-15-9-4-8-14(12-15)16(13-6-2-1-3-7-13)17-19-10-5-11-20-17/h1-3,6-7,14H,4-5,8-12H2
SMILES	O=C1CCCC(C1)C(=C1SCCCS1)c1ccccc1
InChI Key	DBMRDQGRCWFNNO-UHFFFAOYSA-N
Molecular Formula	C17H20OS2
Exact Mass	304.470 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/DBMRDQGRCWFNNO-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/DBMRDQGRCWFNNO-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:25:27.210536
MetadataModified	2024-09-07T14:22:37.983442
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083266	PubChem
The data in this table is sourced from UniChem at EBI.