Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H18S2/c1-14-7-9-16(10-8-14)20-18-11-17(12-18,13-18)19-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
SMILES	Cc1ccc(cc1)SC12CC(C1)(C2)Sc1ccccc1
InChI Key	DWANMFCYEOMCOA-UHFFFAOYSA-N
Molecular Formula	C18H18S2
Exact Mass	298.466 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/DWANMFCYEOMCOA-UHFFFAOYSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/DWANMFCYEOMCOA-UHFFFAOYSA-N/Mass.1
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:54:17.307765
MetadataModified	2024-09-07T14:49:21.054077
MetadataPublished	2019-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137333488	PubChem
The data in this table is sourced from UniChem at EBI.