Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C8H6ClN3/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H
SMILES	Clc1ccc(cc1)n1ccnn1
InChI Key	XFKWCLGRWPWSMD-UHFFFAOYSA-N
Molecular Formula	C8H6ClN3
Exact Mass	179.606 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/XFKWCLGRWPWSMD-UHFFFAOYSA-N/IR
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:26:52.644258
MetadataModified	2024-09-07T12:36:38.160477
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL4764760	ChEMBL
SCHEMBL11102521	SureChEMBL
13106105	PubChem
DTXSID40518290	EPA CompTox Dashboard
J469.556I	Nikkaji
The data in this table is sourced from UniChem at EBI.