Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H23NO2/c1-22(2)14-13-19(23)20-17-9-7-15-3-5-16(6-4-15)8-10-18(12-11-17)21(20)24/h3-6,11-14,24H,7-10H2,1-2H3/b14-13+
SMILES CN(/C=C/C(=O)c1c2ccc(c1O)CCc1ccc(CC2)cc1)C
InChI Key RCIALUQBBGHOQX-BUHFOSPRSA-N
Molecular Formula C21H23NO2
Exact Mass 321.413 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RCIALUQBBGHOQX-BUHFOSPRSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RCIALUQBBGHOQX-BUHFOSPRSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (E)-3-(dimethylamino)-1-(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72697381 PubChem
    The data in this table is sourced from UniChem at EBI.