Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H22S2/c1-3-7-17(8-4-1)23-21-11-19(12-21,13-21)20-14-22(15-20,16-20)24-18-9-5-2-6-10-18/h1-10H,11-16H2
SMILES	c1ccc(cc1)SC12CC(C1)(C2)C12CC(C1)(C2)Sc1ccccc1
InChI Key	UFJZAHXFSRPBMA-UHFFFAOYSA-N
Molecular Formula	C22H22S2
Exact Mass	350.540 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/UFJZAHXFSRPBMA-UHFFFAOYSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/UFJZAHXFSRPBMA-UHFFFAOYSA-N/Mass.1
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:50:26.791524
MetadataModified	2024-09-07T14:44:06.086457
MetadataPublished	2019-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14173144	PubChem
The data in this table is sourced from UniChem at EBI.