Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C22H20ClN/c23-20-3-1-2-4-21(20)24-22-15-18-10-9-16-5-7-17(8-6-16)11-13-19(22)14-12-18/h1-8,12,14-15,24H,9-11,13H2
SMILES Clc1ccccc1Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key YHXMAKCXIVLLGX-UHFFFAOYSA-N
Molecular Formula C22H20ClN
Exact Mass 333.854 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YHXMAKCXIVLLGX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YHXMAKCXIVLLGX-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:30:14.992550
MetadataModified 2024-09-07T15:42:24.093017
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453730 PubChem
The data in this table is sourced from UniChem at EBI.