Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H21NO2S/c1-26-22-13-9-20(10-14-22)25(21-11-15-23(27-2)16-12-21)19-7-5-18(6-8-19)24-4-3-17-28-24/h3-17H,1-2H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1cccs1
InChI Key	XYJCIDLTSVUDLE-UHFFFAOYSA-N
Molecular Formula	C24H21NO2S
Exact Mass	387.494 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/XYJCIDLTSVUDLE-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XYJCIDLTSVUDLE-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:54:52.092882
MetadataModified	2024-09-08T01:54:52.092887
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
141290147	PubChem
The data in this table is sourced from UniChem at EBI.