Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H12OS/c12-13(10-4-2-1-3-5-10)11-6-9(7-11)8-11/h1-5,9H,6-8H2
SMILES	O=S(C12CC(C1)C2)c1ccccc1
InChI Key	IGEMWXAPJBWLLG-UHFFFAOYSA-N
Molecular Formula	C11H12OS
Exact Mass	192.277 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/IGEMWXAPJBWLLG-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/IGEMWXAPJBWLLG-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:11:25.825346
MetadataModified	2024-09-07T16:40:23.258127
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926356	PubChem
The data in this table is sourced from UniChem at EBI.