Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H20N2O4/c1-2-25-21(24)17-9-13(14-10-22-15-6-4-3-5-12(14)15)19-16(23-17)7-8-18-20(19)27-11-26-18/h3-8,10,13,17,22-23H,2,9,11H2,1H3/t13-,17-/m0/s1
SMILES CCOC(=O)[C@H]1Nc2ccc3c(c2[C@@H](C1)c1c[nH]c2c1cccc2)OCO3
InChI Key AMYCNUXMXPYLEA-GUYCJALGSA-N
Molecular Formula C21H20N2O4
Exact Mass 364.394 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AMYCNUXMXPYLEA-GUYCJALGSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/AMYCNUXMXPYLEA-GUYCJALGSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • ethyl (7S,9S)-9-(1H-indol-3-yl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-f]quinoline-7-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453649 PubChem
    The data in this table is sourced from UniChem at EBI.