Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C25H24O9/c1-13-11-17(30-2)21-16(26)12-25(24(29)32-4,18-9-10-19(27)33-18)34-22(21)20(13)14-5-7-15(8-6-14)23(28)31-3/h5-8,11,18H,9-10,12H2,1-4H3
SMILES COC(=O)C1(CC(=O)c2c(O1)c(c1ccc(cc1)C(=O)OC)c(cc2OC)C)C1CCC(=O)O1
InChI Key WMWPZPCQGRTJNK-UHFFFAOYSA-N
Molecular Formula C25H24O9
Exact Mass 468.453 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WMWPZPCQGRTJNK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WMWPZPCQGRTJNK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 5-methoxy-8-(4-methoxycarbonylphenyl)-7-methyl-4-oxo-2-(5-oxooxolan-2-yl)-3H-chromene-2-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453784 PubChem
    The data in this table is sourced from UniChem at EBI.