Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H23NO4S/c1-28-22-11-7-20(8-12-22)27(21-9-13-23(29-2)14-10-21)19-5-3-18(4-6-19)26-25-24(17-32-26)30-15-16-31-25/h3-14,17H,15-16H2,1-2H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1scc2c1OCCO2
InChI Key	YFMXADMHXAEZBA-UHFFFAOYSA-N
Molecular Formula	C26H23NO4S
Exact Mass	445.530 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/YFMXADMHXAEZBA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YFMXADMHXAEZBA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:56:01.829703
MetadataModified	2024-09-08T01:56:01.829709
MetadataPublished	2023-11-13
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL12176551	SureChEMBL
68207674	PubChem
The data in this table is sourced from UniChem at EBI.