Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H17NO2S/c1-14(10-11-5-3-2-4-6-11)17(15,16)13-7-12(8-13)9-13/h2-6,12H,7-10H2,1H3
SMILES	CN(S(=O)(=O)C12CC(C1)C2)Cc1ccccc1
InChI Key	WTYCRMZWTGSRSJ-UHFFFAOYSA-N
Molecular Formula	C13H17NO2S
Exact Mass	251.345 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WTYCRMZWTGSRSJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WTYCRMZWTGSRSJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:09:30.983331
MetadataModified	2024-09-07T16:37:47.288689
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926353	PubChem
The data in this table is sourced from UniChem at EBI.