Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H15NO3S/c1-13-8(11)2-3-14(10,12)9-4-7(5-9)6-9/h7,10H,2-6H2,1H3
SMILES	COC(=O)CCS(=O)(=N)C12CC(C1)C2
InChI Key	LFQXFMHDVUMDRF-UHFFFAOYSA-N
Molecular Formula	C9H15NO3S
Exact Mass	217.285 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LFQXFMHDVUMDRF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LFQXFMHDVUMDRF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:24:18.510666
MetadataModified	2024-09-07T16:55:57.181045
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926395	PubChem
The data in this table is sourced from UniChem at EBI.