Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3
SMILES	CCOC(=O)c1sc(nc1OCC)c1ccc2c3c1ccc1c3c(cc2)ccc1
InChI Key	UNKMLDXSYNSOMA-UHFFFAOYSA-N
Molecular Formula	C24H19NO3S
Exact Mass	401.478 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UNKMLDXSYNSOMA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/UNKMLDXSYNSOMA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Uwe Ritter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:11:20.220919
MetadataModified	2024-09-07T20:36:01.137080
MetadataPublished	2021-10-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
156612933	PubChem
The data in this table is sourced from UniChem at EBI.