Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C24H21NO11/c1-11-8-16-20(15(26)10-24(36-16,23(30)34-3)17-6-7-18(27)35-17)21(28)19(11)12-4-5-13(22(29)33-2)14(9-12)25(31)32/h4-5,8-9,17,28H,6-7,10H2,1-3H3/t17-,24-/m1/s1
SMILES COC(=O)[C@@]1(CC(=O)c2c(O1)cc(c(c2O)c1ccc(c(c1)[N+](=O)[O-])C(=O)OC)C)[C@H]1CCC(=O)O1
InChI Key YGTISRFAPOCTOV-MZNJEOGPSA-N
Molecular Formula C24H21NO11
Exact Mass 499.424 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YGTISRFAPOCTOV-MZNJEOGPSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YGTISRFAPOCTOV-MZNJEOGPSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl (2R)-5-hydroxy-6-(4-methoxycarbonyl-3-nitrophenyl)-7-methyl-4-oxo-2-[(2R)-5-oxooxolan-2-yl]-3H-chromene-2-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453624 PubChem
    The data in this table is sourced from UniChem at EBI.