Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3
SMILES	COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)c1cccs1
InChI Key	GIIRFSVKDFTLPT-UHFFFAOYSA-N
Molecular Formula	C24H19NO2S
Exact Mass	385.478 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/GIIRFSVKDFTLPT-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GIIRFSVKDFTLPT-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:58:26.739918
MetadataModified	2024-09-08T01:58:26.739923
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169408868	PubChem
The data in this table is sourced from UniChem at EBI.