Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2?,3-,4-,5?,6+/m0/s1
SMILES [N-]=[N+]=NCC1O[C@@H](O)C([C@H]([C@H]1O)O)O
InChI Key CMLRUUHRGSJVMD-DLGJCNIVSA-N
Molecular Formula C6H11N3O5
Exact Mass 205.169 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CMLRUUHRGSJVMD-DLGJCNIVSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CMLRUUHRGSJVMD-DLGJCNIVSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (2R,4S,5R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22660037 pubchem
    The data in this table is sourced from UniChem at EBI.