Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H16Cl3NO6/c1-2-3-20-9-6(15-10(19)11(12,13)14)8(18)7(17)5(4-16)21-9/h2,5-9,16-18H,1,3-4H2,(H,15,19)/t5-,6-,7-,8-,9-/m1/s1
SMILES C=CCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)O)O
InChI Key JETTVCYMEIOQIR-JGKVKWKGSA-N
Molecular Formula C11H16Cl3NO6
Exact Mass 364.607 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JETTVCYMEIOQIR-JGKVKWKGSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/JETTVCYMEIOQIR-JGKVKWKGSA-N/IR
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2,2,2-trichloro-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427295 PubChem
    The data in this table is sourced from UniChem at EBI.