Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H17NOS/c19-20(16-9-5-2-6-10-16,17-11-14(12-17)13-17)18-15-7-3-1-4-8-15/h1-10,14H,11-13H2
SMILES	O=S(=Nc1ccccc1)(C12CC(C1)C2)c1ccccc1
InChI Key	TWDWAAYCQHATGX-UHFFFAOYSA-N
Molecular Formula	C17H17NOS
Exact Mass	283.388 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/TWDWAAYCQHATGX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/TWDWAAYCQHATGX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:19:28.321099
MetadataModified	2024-09-07T16:50:15.739909
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926389	PubChem
The data in this table is sourced from UniChem at EBI.