Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H22O4/c1-4-5-6-7-8-19-12-9-14(17-2)13(11-16)15(10-12)18-3/h9-11H,4-8H2,1-3H3
SMILES CCCCCCOc1cc(OC)c(c(c1)OC)C=O
InChI Key IEIKJKRULVHRKI-UHFFFAOYSA-N
Molecular Formula C15H22O4
Exact Mass 266.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IEIKJKRULVHRKI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IEIKJKRULVHRKI-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:25:29.847999
MetadataModified 2024-09-07T15:35:22.722190
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453666 PubChem
The data in this table is sourced from UniChem at EBI.