Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H28O3/c1-6-7-8-9-10-18(2,3)14-11-16(20-4)15(13-19)17(12-14)21-5/h11-13H,6-10H2,1-5H3
SMILES CCCCCCC(c1cc(OC)c(c(c1)OC)C=O)(C)C
InChI Key OFMSQWDDPFEFGU-UHFFFAOYSA-N
Molecular Formula C18H28O3
Exact Mass 292.413 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OFMSQWDDPFEFGU-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OFMSQWDDPFEFGU-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:16:27.079664
MetadataModified 2024-09-07T15:21:51.685375
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
85981089 PubChem
The data in this table is sourced from UniChem at EBI.