Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20(23)19(21)22/h2-18H2,1H3,(H,21,22)
SMILES CCCCCCCCCCCCCCCCCCOC(=O)C(=O)O
InChI Key XEVIUPKBMXSALX-UHFFFAOYSA-N
Molecular Formula C20H38O4
Exact Mass 342.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XEVIUPKBMXSALX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XEVIUPKBMXSALX-UHFFFAOYSA-N/IR
Version
Author Christina Belenki
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:51:01.695183
MetadataModified 2024-09-07T13:12:38.263862
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL2458381 SureChEMBL
20435825 PubChem
The data in this table is sourced from UniChem at EBI.