Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H21N5O2/c1-6-19-12(18)10-7-13-14-11(10)15-16-17(8(2)3)9(4)5/h7-9H,6H2,1-5H3,(H,13,14)/b16-15+
SMILES CCOC(=O)c1c[nH]nc1/N=N/N(C(C)C)C(C)C
InChI Key XLGLVRGMYSSDFW-FOCLMDBBSA-N
Molecular Formula C12H21N5O2
Exact Mass 267.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XLGLVRGMYSSDFW-FOCLMDBBSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XLGLVRGMYSSDFW-FOCLMDBBSA-N/IR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-03-16
Related Molecule
  • ethyl 5-[(~{E})-[di(propan-2-yl)amino]diazenyl]-1~{H}-pyrazole-4-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137530495 PubChem
    The data in this table is sourced from UniChem at EBI.