Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H17N5O2/c1-3-5-6-9-8-17(16-14-9)11-10(7-13-15-11)12(18)19-4-2/h7-8H,3-6H2,1-2H3,(H,13,15)
SMILES CCCCc1nnn(c1)c1n[nH]cc1C(=O)OCC
InChI Key CDDXWUAJGLDUKH-UHFFFAOYSA-N
Molecular Formula C12H17N5O2
Exact Mass 263.296 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CDDXWUAJGLDUKH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/CDDXWUAJGLDUKH-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 5-(4-butyltriazol-1-yl)-1H-pyrazole-4-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.