Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H16ClNOS/c18-14-6-8-15(9-7-14)19-21(20,16-4-2-1-3-5-16)17-10-13(11-17)12-17/h1-9,13H,10-12H2
SMILES	Clc1ccc(cc1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key	NVDBEHXDGKUWAW-UHFFFAOYSA-N
Molecular Formula	C17H16ClNOS
Exact Mass	317.833 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/NVDBEHXDGKUWAW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NVDBEHXDGKUWAW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:14:18.625865
MetadataModified	2024-09-07T16:44:11.624395
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926368	PubChem
The data in this table is sourced from UniChem at EBI.