Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C10H10ClN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,12H,7-8H2
SMILES	C#CCNCc1ccc(cc1)Cl
InChI Key	VRYFQVRFMNXTJS-UHFFFAOYSA-N
Molecular Formula	C10H10ClN
Exact Mass	179.646 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VRYFQVRFMNXTJS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VRYFQVRFMNXTJS-UHFFFAOYSA-N/IR
Version
Author	Daniela Althuon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:36:14.549118
MetadataModified	2024-09-07T12:50:41.982238
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
28419231	PubChem
36837749	eMolecules
ZINC000019875340	ZINC
The data in this table is sourced from UniChem at EBI.