Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H18OS2/c1-19-14-7-9-16(10-8-14)21-18-11-17(12-18,13-18)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
SMILES	COc1ccc(cc1)SC12CC(C1)(C2)Sc1ccccc1
InChI Key	MMODRWTWUUODQN-UHFFFAOYSA-N
Molecular Formula	C18H18OS2
Exact Mass	314.465 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/MMODRWTWUUODQN-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/MMODRWTWUUODQN-UHFFFAOYSA-N/Mass
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:52:59.794021
MetadataModified	2024-09-07T14:47:31.255423
MetadataPublished	2019-02-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137333329	PubChem
The data in this table is sourced from UniChem at EBI.