Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H12Cl4S2/c18-10-1-11(19)4-14(3-10)22-16-7-17(8-16,9-16)23-15-5-12(20)2-13(21)6-15/h1-6H,7-9H2
SMILES	Clc1cc(SC23CC(C2)(C3)Sc2cc(Cl)cc(c2)Cl)cc(c1)Cl
InChI Key	DHAJMGHBXKCZPF-UHFFFAOYSA-N
Molecular Formula	C17H12Cl4S2
Exact Mass	422.219 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/DHAJMGHBXKCZPF-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/DHAJMGHBXKCZPF-UHFFFAOYSA-N/Mass
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:49:04.060560
MetadataModified	2024-09-07T14:42:14.833044
MetadataPublished	2019-02-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137321626	PubChem
The data in this table is sourced from UniChem at EBI.