Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C22H22O2/c1-15(23)17-3-7-19(8-4-17)21-11-13-22(14-12-21)20-9-5-18(6-10-20)16(2)24/h3-16,23-24H,1-2H3
SMILES CC(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(O)C)O
InChI Key ZATIMQCHJMIEFF-UHFFFAOYSA-N
Molecular Formula C22H22O2
Exact Mass 318.409 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZATIMQCHJMIEFF-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ZATIMQCHJMIEFF-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:41:26.071008
MetadataModified 2024-09-07T18:40:15.913862
MetadataPublished 2020-08-26
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
140065142 PubChem
The data in this table is sourced from UniChem at EBI.