Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C16H15BrS2/c17-16-7-14-5-6-15(16)11-19-9-13-3-1-12(2-4-13)8-18-10-14/h1-7H,8-11H2
SMILES	Brc1cc2CSCc3ccc(CSCc1cc2)cc3
InChI Key	WFGUMAMXHLAEPG-UHFFFAOYSA-N
Exact Mass	351.324 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WFGUMAMXHLAEPG-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/WFGUMAMXHLAEPG-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:45:44.919425
MetadataModified	2024-09-23T09:24:45.986199
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Feb09-2024 date : 20240210 starting time : 18.50 h instrument : Avance NEO label : KT-683 id : 293135 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.