Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H12N2O3/c1-6(11)4-3-5-7(10-9)8(12)13-2/h3-5H2,1-2H3
SMILES [N-]=[N+]=C(C(=O)OC)CCCC(=O)C
InChI Key QOKCGDSBHFTLMZ-UHFFFAOYSA-N
Molecular Formula C8H12N2O3
Exact Mass 184.192 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOKCGDSBHFTLMZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QOKCGDSBHFTLMZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 2-diazo-6-oxoheptanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453469 pubchem
    The data in this table is sourced from UniChem at EBI.