Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h4H,1-3H3
SMILES COC(=O)C(C(=O)C)C
InChI Key NDTWZHURUDSPQV-UHFFFAOYSA-N
Molecular Formula C6H10O3
Exact Mass 130.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NDTWZHURUDSPQV-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NDTWZHURUDSPQV-UHFFFAOYSA-N/CHMO0000630
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • methyl 2-methyl-3-oxobutanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    858078 surechembl
    86508 pubchem
    Molport-001-784-174 molport
    The data in this table is sourced from UniChem at EBI.