Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C26H42N2.2BrH/c1-3-5-7-9-11-13-19-27-21-15-25(16-22-27)26-17-23-28(24-18-26)20-14-12-10-8-6-4-2;;/h15-18,21-24H,3-14,19-20H2,1-2H3;2*1H/q+2;;/p-2
SMILES CCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCC.[Br-].[Br-]
InChI Key GVUBEJANEHZYPA-UHFFFAOYSA-L
Molecular Formula C26H42Br2N2
Exact Mass 542.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GVUBEJANEHZYPA-UHFFFAOYSA-L/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GVUBEJANEHZYPA-UHFFFAOYSA-L/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:12:08.991334
MetadataModified 2024-09-07T15:15:28.794324
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
37451 PubChem
2901345 eMolecules
16188129 PubChem: Thomson Pharma
36437-30-6 ACToR
SCHEMBL599465 SureChEMBL
CHEMBL2031406 ChEMBL
The data in this table is sourced from UniChem at EBI.