Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H14Cl2S2/c18-12-1-5-14(6-2-12)20-16-9-17(10-16,11-16)21-15-7-3-13(19)4-8-15/h1-8H,9-11H2
SMILES	Clc1ccc(cc1)SC12CC(C1)(C2)Sc1ccc(cc1)Cl
InChI Key	SJOKHIZPCGZHAT-UHFFFAOYSA-N
Molecular Formula	C17H14Cl2S2
Exact Mass	353.329 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/SJOKHIZPCGZHAT-UHFFFAOYSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/SJOKHIZPCGZHAT-UHFFFAOYSA-N/Mass.1
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:47:25.163941
MetadataModified	2024-09-07T14:39:52.250840
MetadataPublished	2019-01-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137321245	PubChem
The data in this table is sourced from UniChem at EBI.