Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C17H14BrN/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-10H,2-3,6-7H2
SMILES	N#Cc1cc2ccc1CCc1ccc(CC2)c(c1)Br
InChI Key	DJINGZQBQMFKGX-UHFFFAOYSA-N
Molecular Formula	C17H14BrN
Exact Mass	312.204 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DJINGZQBQMFKGX-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/DJINGZQBQMFKGX-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:10:03.203798
MetadataModified	2024-09-07T15:12:20.973248
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453434	PubChem
The data in this table is sourced from UniChem at EBI.