Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H14O3S/c1-15-10-2-4-11(5-3-10)16(13,14)12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
SMILES	COc1ccc(cc1)S(=O)(=O)C12CC(C1)C2
InChI Key	GMFHWPBZPSAKPQ-UHFFFAOYSA-N
Molecular Formula	C12H14O3S
Exact Mass	238.303 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/GMFHWPBZPSAKPQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GMFHWPBZPSAKPQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:11:51.095444
MetadataModified	2024-09-07T16:40:48.315863
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926357	PubChem
The data in this table is sourced from UniChem at EBI.