Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H19NOS/c23-24(18-9-2-1-3-10-18,21-13-16(14-21)15-21)22-20-12-6-8-17-7-4-5-11-19(17)20/h1-12,16H,13-15H2
SMILES	O=S(=Nc1cccc2c1cccc2)(C12CC(C1)C2)c1ccccc1
InChI Key	FOSBJORACSDUNI-UHFFFAOYSA-N
Molecular Formula	C21H19NOS
Exact Mass	333.447 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/FOSBJORACSDUNI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FOSBJORACSDUNI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:15:27.802384
MetadataModified	2024-09-07T16:45:36.502534
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926371	PubChem
The data in this table is sourced from UniChem at EBI.