Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H13NO2S/c1-2-15-11-10(8-14)16-12(13-11)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3
SMILES	CCOc1nc(sc1CO)c1ccccc1
InChI Key	FRMADCBLMJJTKM-UHFFFAOYSA-N
Molecular Formula	C12H13NO2S
Exact Mass	235.302 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FRMADCBLMJJTKM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FRMADCBLMJJTKM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:12:15.234394
MetadataModified	2024-09-07T20:37:15.762194
MetadataPublished	2021-10-20

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
156619913	PubChem
The data in this table is sourced from UniChem at EBI.