Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C18H14N2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-10H,3-4,7-8H2
SMILES	N#Cc1cc2CCc3ccc(CCc1cc2)cc3C#N
InChI Key	ZNAXZVWVJHSCLK-UHFFFAOYSA-N
Molecular Formula	C18H14N2
Exact Mass	258.317 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZNAXZVWVJHSCLK-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/ZNAXZVWVJHSCLK-UHFFFAOYSA-N/IR.1
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:45.694823
MetadataModified	2024-09-07T15:28:12.358991
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-2726300859	Mcule
3706440	PubChem
2745164	eMolecules
ZINC000000409590	ZINC
J1.249.296K	Nikkaji
The data in this table is sourced from UniChem at EBI.