Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H13NOS/c12-14(13,10-4-2-1-3-5-10)11-6-9(7-11)8-11/h1-5,9,12H,6-8H2
SMILES	N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key	NEKGDCIKXKJMQB-UHFFFAOYSA-N
Molecular Formula	C11H13NOS
Exact Mass	207.292 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/NEKGDCIKXKJMQB-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NEKGDCIKXKJMQB-UHFFFAOYSA-N/CHMO0000470
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:09:11.876769
MetadataModified	2024-09-07T16:37:29.969214
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926348	PubChem
The data in this table is sourced from UniChem at EBI.