Dataset

infrared absorption spectroscopy (IR)

Chemical Information

InChI	InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2
SMILES	C#Cc1cc2CCc3ccc(CCc1cc2)cc3C#C
InChI Key	BMYMQUMNIXYUGD-UHFFFAOYSA-N
Molecular Formula	C20H16
Exact Mass	256.341 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
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• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BMYMQUMNIXYUGD-UHFFFAOYSA-N/CHMO0000630.2
License URL
Source	https://www.chemotion-repository.net/inchikey/BMYMQUMNIXYUGD-UHFFFAOYSA-N/CHMO0000630.2
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-03-23
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
11149538	pubchem
CIKBUU	CCDC
The data in this table is sourced from UniChem at EBI.