Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H13NO2S/c16-18(17,14-7-10(8-14)9-14)13-12-4-2-1-3-11(12)5-6-15-13/h1-6,10H,7-9H2
SMILES	O=S(=O)(C12CC(C1)C2)c1nccc2c1cccc2
InChI Key	XJYCXWYTZQRPFO-UHFFFAOYSA-N
Molecular Formula	C14H13NO2S
Exact Mass	259.324 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/XJYCXWYTZQRPFO-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/XJYCXWYTZQRPFO-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:12:09.437758
MetadataModified	2024-09-07T16:41:14.404100
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926358	PubChem
The data in this table is sourced from UniChem at EBI.