Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O4S/c13-15-14-6-8-9(16)10(17)11(18)12(19-8)20-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2/t8?,9-,10+,11?,12+/m1/s1
SMILES [N-]=[N+]=NCC1O[C@@H](Sc2ccccc2)C([C@H]([C@@H]1O)O)O
InChI Key NHBXZVUESURQSL-ZVCXTHFISA-N
Molecular Formula C12H15N3O4S
Exact Mass 297.330 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHBXZVUESURQSL-ZVCXTHFISA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NHBXZVUESURQSL-ZVCXTHFISA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (3S,4S,6S)-2-(azidomethyl)-6-phenylsulfanyloxane-3,4,5-triol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453588 PubChem
    The data in this table is sourced from UniChem at EBI.