Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H18OS2/c1-3-9(5-6-10(12)4-2)11-13-7-8-14-11/h3-8H2,1-2H3
SMILES	CCC(=C1SCCS1)CCC(=O)CC
InChI Key	YDJFXLVHPNACDY-UHFFFAOYSA-N
Molecular Formula	C11H18OS2
Exact Mass	230.390 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/YDJFXLVHPNACDY-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/YDJFXLVHPNACDY-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:23:05.415126
MetadataModified	2024-09-07T14:18:51.457359
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053739	PubChem
The data in this table is sourced from UniChem at EBI.