Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C26H30O4/c1-4-5-11-26(12-6-7-13-26)19-15-23(29-3)22-17-21(25(27)30-24(22)16-19)18-9-8-10-20(14-18)28-2/h8-10,14-17H,4-7,11-13H2,1-3H3
SMILES CCCCC1(CCCC1)c1cc(OC)c2c(c1)oc(=O)c(c2)c1cccc(c1)OC
InChI Key OTYYAQUJROEMEC-UHFFFAOYSA-N
Molecular Formula C26H30O4
Exact Mass 406.514 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTYYAQUJROEMEC-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OTYYAQUJROEMEC-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:15:54.427991
MetadataModified 2024-09-07T15:21:04.016960
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453508 PubChem
The data in this table is sourced from UniChem at EBI.