Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H21NO2/c1-5-6-7-14(2)11-8-12(15-3)10-13(9-11)16-4/h8-10H,5-7H2,1-4H3
SMILES CCCCN(c1cc(OC)cc(c1)OC)C
InChI Key VTBHAFMKNLFOFD-UHFFFAOYSA-N
Molecular Formula C13H21NO2
Exact Mass 223.311 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTBHAFMKNLFOFD-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VTBHAFMKNLFOFD-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:32:42.367327
MetadataModified 2024-09-07T15:46:02.913922
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5615880663 Mcule
13793994 PubChem
The data in this table is sourced from UniChem at EBI.