Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H24OS2/c27-24(21-13-6-2-7-14-21)19-23(20-11-4-1-5-12-20)25(22-15-8-3-9-16-22)26-28-17-10-18-29-26/h1-9,11-16,23H,10,17-19H2
SMILES	O=C(c1ccccc1)CC(C(=C1SCCCS1)c1ccccc1)c1ccccc1
InChI Key	ZUDKFLLVQMXJBO-UHFFFAOYSA-N
Molecular Formula	C26H24OS2
Exact Mass	416.598 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/ZUDKFLLVQMXJBO-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/ZUDKFLLVQMXJBO-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:24:11.171347
MetadataModified	2024-09-07T14:20:25.689490
MetadataPublished	2018-05-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133083257	PubChem
The data in this table is sourced from UniChem at EBI.