Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H18N2OS/c23-24(18-6-2-1-3-7-18,20-12-15(13-20)14-20)22-17-8-9-19-16(11-17)5-4-10-21-19/h1-11,15H,12-14H2
SMILES	O=S(=Nc1ccc2c(c1)cccn2)(C12CC(C1)C2)c1ccccc1
InChI Key	FNQRKUPPIUXLJL-UHFFFAOYSA-N
Molecular Formula	C20H18N2OS
Exact Mass	334.435 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/FNQRKUPPIUXLJL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FNQRKUPPIUXLJL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:15:50.040908
MetadataModified	2024-09-07T16:46:10.010645
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926372	PubChem
The data in this table is sourced from UniChem at EBI.