Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H
SMILES	C#Cc1ccc(cc1)C(c1ccc(cc1)C#C)(c1ccc(cc1)C#C)c1ccc(cc1)C#C
InChI Key	JGUCYLISNORQFW-UHFFFAOYSA-N
Molecular Formula	C33H20
Exact Mass	416.512 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JGUCYLISNORQFW-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/JGUCYLISNORQFW-UHFFFAOYSA-N/CHMO0000630
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:54:40.768405
MetadataModified	2024-09-08T00:54:40.768409
MetadataPublished	2023-05-09

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
12157742	PubChem
CB92603886	ChemicalBook
ZINC000113858238	ZINC
J1.081.297F	Nikkaji
HAZQII	CCDC
SCHEMBL450726	SureChEMBL
The data in this table is sourced from UniChem at EBI.