Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H15NO2S/c1-15-10-2-4-11(5-3-10)16(13,14)12-6-9(7-12)8-12/h2-5,9,13H,6-8H2,1H3
SMILES	COc1ccc(cc1)S(=O)(=N)C12CC(C1)C2
InChI Key	JPDHSBXYSZUVMX-UHFFFAOYSA-N
Molecular Formula	C12H15NO2S
Exact Mass	237.318 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/JPDHSBXYSZUVMX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JPDHSBXYSZUVMX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:25:32.341450
MetadataModified	2024-09-07T16:57:19.053493
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926397	PubChem
The data in this table is sourced from UniChem at EBI.