Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)
SMILES CCCCNC(=O)C
InChI Key GYLDXXLJMRTVSS-UHFFFAOYSA-N
Molecular Formula C6H13NO
Exact Mass 115.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYLDXXLJMRTVSS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GYLDXXLJMRTVSS-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N-butylacetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    48873 surechembl
    61265 pubchem
    45F5O38HJS fdasrs
    240485 brenda
    HMDB0031651 hmdb
    Molport-019-083-058 molport
    The data in this table is sourced from UniChem at EBI.