Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3?,4?,5-,6+,7-,8?,9?,10-,11+,12-/m1/s1
SMILES OCC1O[C@H](N=[N+]=[N-])C([C@H]([C@@H]1O[C@H]1OC(CO)[C@H]([C@@H](C1O)O)O)O)O
InChI Key FJOYNMRZUBUGGP-QZZUVKMMSA-N
Molecular Formula C12H21N3O10
Exact Mass 367.309 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FJOYNMRZUBUGGP-QZZUVKMMSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/FJOYNMRZUBUGGP-QZZUVKMMSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (2R,4S,5S)-2-[(3S,4R,6S)-6-azido-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453583 PubChem
    The data in this table is sourced from UniChem at EBI.