Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H11ClOS/c12-9-1-3-10(4-2-9)14(13)11-5-8(6-11)7-11/h1-4,8H,5-7H2
SMILES	Clc1ccc(cc1)S(=O)C12CC(C1)C2
InChI Key	PRXXLNBZQITSKP-UHFFFAOYSA-N
Molecular Formula	C11H11ClOS
Exact Mass	226.722 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/PRXXLNBZQITSKP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PRXXLNBZQITSKP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:37:51.276028
MetadataModified	2024-09-08T01:37:51.276033
MetadataPublished	2023-09-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168499171	PubChem
The data in this table is sourced from UniChem at EBI.