Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H21NO7/c1-11(2,3)19-10(17)12-6-8(15)7(14)5(4-13)18-9(6)16/h5-9,13-16H,4H2,1-3H3,(H,12,17)/t5-,6-,7-,8-,9?/m1/s1
SMILES OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)OC(C)(C)C
InChI Key CQWFSMWAGKKQJB-VARJHODCSA-N
Molecular Formula C11H21NO7
Exact Mass 279.287 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CQWFSMWAGKKQJB-VARJHODCSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CQWFSMWAGKKQJB-VARJHODCSA-N/IR
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • tert-butyl N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.803.005E Nikkaji
    DTXSID90553959 EPA CompTox Dashboard
    SCHEMBL18528477 SureChEMBL
    26752087 eMolecules
    13998612 PubChem
    The data in this table is sourced from UniChem at EBI.