Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H16S2/c1-3-7-14(8-4-1)18-16-11-17(12-16,13-16)19-15-9-5-2-6-10-15/h1-10H,11-13H2
SMILES	c1ccc(cc1)SC12CC(C1)(C2)Sc1ccccc1
InChI Key	GHXRODNNSAZUSG-UHFFFAOYSA-N
Molecular Formula	C17H16S2
Exact Mass	284.439 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/GHXRODNNSAZUSG-UHFFFAOYSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/GHXRODNNSAZUSG-UHFFFAOYSA-N/Mass.1
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:48:35.910485
MetadataModified	2024-09-07T14:41:32.441881
MetadataPublished	2019-02-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.023.364J	Nikkaji
13999829	PubChem
The data in this table is sourced from UniChem at EBI.