Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H19NO2S/c1-21-16-9-7-15(8-10-16)19-22(20,17-5-3-2-4-6-17)18-11-14(12-18)13-18/h2-10,14H,11-13H2,1H3
SMILES	COc1ccc(cc1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key	WXJLWZDBNPUGKF-UHFFFAOYSA-N
Molecular Formula	C18H19NO2S
Exact Mass	313.414 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/WXJLWZDBNPUGKF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WXJLWZDBNPUGKF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:17:34.703997
MetadataModified	2024-09-07T16:48:00.965328
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926386	PubChem
The data in this table is sourced from UniChem at EBI.