Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H18Cl4S2/c23-13-1-14(24)4-17(3-13)27-21-7-19(8-21,9-21)20-10-22(11-20,12-20)28-18-5-15(25)2-16(26)6-18/h1-6H,7-12H2
SMILES	Clc1cc(SC23CC(C2)(C3)C23CC(C2)(C3)Sc2cc(Cl)cc(c2)Cl)cc(c1)Cl
InChI Key	KGJVMZAWJCTKCI-UHFFFAOYSA-N
Molecular Formula	C22H18Cl4S2
Exact Mass	488.320 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/KGJVMZAWJCTKCI-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/KGJVMZAWJCTKCI-UHFFFAOYSA-N/Mass
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:51:05.565940
MetadataModified	2024-09-07T14:45:00.983163
MetadataPublished	2019-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137331334	PubChem
The data in this table is sourced from UniChem at EBI.