Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H16O4/c1-7(11)5-4-6-9(8(2)12)10(13)14-3/h9H,4-6H2,1-3H3
SMILES COC(=O)C(C(=O)C)CCCC(=O)C
InChI Key XJMYZMQHGWLNBW-UHFFFAOYSA-N
Molecular Formula C10H16O4
Exact Mass 200.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XJMYZMQHGWLNBW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XJMYZMQHGWLNBW-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 2-acetyl-6-oxoheptanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453467 pubchem
    The data in this table is sourced from UniChem at EBI.