Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H18S/c1-3-16-4-2-15(1)5-6-17-8-10-18(9-7-16)20(13-17)19-11-12-21-14-19/h1-4,8,10-14H,5-7,9H2
SMILES	s1ccc(c1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	GOVQMDQNGYKJEV-UHFFFAOYSA-N
Molecular Formula	C20H18S
Exact Mass	290.422 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GOVQMDQNGYKJEV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GOVQMDQNGYKJEV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Daniel Knoll
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:54:37.880755
MetadataModified	2024-09-07T16:17:12.591474
MetadataPublished	2019-12-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145707045	PubChem
The data in this table is sourced from UniChem at EBI.