Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H12ClNOS/c12-9-1-3-10(4-2-9)15(13,14)11-5-8(6-11)7-11/h1-4,8,13H,5-7H2
SMILES	Clc1ccc(cc1)S(=O)(=N)C12CC(C1)C2
InChI Key	YJAAWLIQQMUOLC-UHFFFAOYSA-N
Molecular Formula	C11H12ClNOS
Exact Mass	241.737 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/YJAAWLIQQMUOLC-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YJAAWLIQQMUOLC-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:24:00.822444
MetadataModified	2024-09-07T16:55:35.005660
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926379	PubChem
The data in this table is sourced from UniChem at EBI.