Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H20Cl2S2/c23-15-1-5-17(6-2-15)25-21-9-19(10-21,11-21)20-12-22(13-20,14-20)26-18-7-3-16(24)4-8-18/h1-8H,9-14H2
SMILES	Clc1ccc(cc1)SC12CC(C1)(C2)C12CC(C1)(C2)Sc1ccc(cc1)Cl
InChI Key	PDIYSPWIMSKCME-UHFFFAOYSA-N
Molecular Formula	C22H20Cl2S2
Exact Mass	419.430 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/PDIYSPWIMSKCME-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/PDIYSPWIMSKCME-UHFFFAOYSA-N/Mass
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:50:40.115523
MetadataModified	2024-09-07T14:44:24.242096
MetadataPublished	2019-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137331333	PubChem
The data in this table is sourced from UniChem at EBI.