Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C25H29Cl3N2O10/c1-4-12-36-23-18(29-24(35)25(26,27)28)19(38-15(3)32)20(39-17(33)11-10-14(2)31)21(40-23)22(34)30-37-13-16-8-6-5-7-9-16/h4-9,18-21,23H,1,10-13H2,2-3H3,(H,29,35)(H,30,34)/t18?,19-,20+,21?,23-/m1/s1
SMILES C=CCO[C@@H]1OC(C(=O)NOCc2ccccc2)[C@H]([C@@H](C1NC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)CCC(=O)C
InChI Key QOKXBBWNBOZZIT-DFWZABSKSA-N
Molecular Formula C25H29Cl3N2O10
Exact Mass 623.864 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOKXBBWNBOZZIT-DFWZABSKSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QOKXBBWNBOZZIT-DFWZABSKSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • [(3S,4R,6R)-4-acetyloxy-2-(phenylmethoxycarbamoyl)-6-prop-2-enoxy-5-[(2,2,2-trichloroacetyl)amino]oxan-3-yl] 4-oxopentanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453501 PubChem
    The data in this table is sourced from UniChem at EBI.