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

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/XFKWCLGRWPWSMD-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/XFKWCLGRWPWSMD-UHFFFAOYSA-N/IR.1
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:27:00.216631
MetadataModified	2024-09-07T15:37:38.429508
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables