Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H18N3O6P/c9-11-10-1-2-15-3-4-16-5-6-17-7-8-18(12,13)14/h1-8H2,(H2,12,13,14)
SMILES [N-]=[N+]=NCCOCCOCCOCCP(=O)(O)O
InChI Key ZSTIPXPOWKYOBR-UHFFFAOYSA-N
Molecular Formula C8H18N3O6P
Exact Mass 283.219 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZSTIPXPOWKYOBR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZSTIPXPOWKYOBR-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylphosphonic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31057567 surechembl
    123132154 pubchem
    The data in this table is sourced from UniChem at EBI.