Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C21H19N/c1-3-17-4-2-16(1)5-6-18-8-10-19(9-7-17)21(15-18)20-11-13-22-14-12-20/h1-4,8,10-15H,5-7,9H2
SMILES n1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key KMTTZSIPTTZKET-UHFFFAOYSA-N
Molecular Formula C21H19N
Exact Mass 285.382 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KMTTZSIPTTZKET-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KMTTZSIPTTZKET-UHFFFAOYSA-N/CHMO0000630
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:10:57.698910
MetadataModified 2024-09-08T04:10:57.698915
MetadataPublished 2024-07-10
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15321284 PubChem
The data in this table is sourced from UniChem at EBI.