Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H13ClOS2/c11-9(10-13-4-5-14-10)7-2-1-3-8(12)6-7/h7H,1-6H2
SMILES	O=C1CCCC(C1)C(=C1SCCS1)Cl
InChI Key	NBLKWHHUXUGJIG-UHFFFAOYSA-N
Molecular Formula	C10H13ClOS2
Exact Mass	248.793 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/NBLKWHHUXUGJIG-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/NBLKWHHUXUGJIG-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:27:03.896321
MetadataModified	2024-09-07T14:25:00.595554
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083276	PubChem
The data in this table is sourced from UniChem at EBI.