Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H18S2/c1-2-14(18-16-8-12(9-16)10-16)4-3-13(1)17-15-5-11(6-15)7-15/h1-4,11-12H,5-10H2
SMILES	C1C2CC1(C2)Sc1ccc(cc1)SC12CC(C1)C2
InChI Key	MRUUCJCNLWIXRL-UHFFFAOYSA-N
Molecular Formula	C16H18S2
Exact Mass	274.444 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/MRUUCJCNLWIXRL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MRUUCJCNLWIXRL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:22:36.514618
MetadataModified	2024-09-07T16:54:10.352590
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926380	PubChem
The data in this table is sourced from UniChem at EBI.