Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C26H31NO3/c1-3-4-10-26(11-6-5-7-12-26)21-17-23(29-2)22-16-20(25(28)30-24(22)18-21)15-19-8-13-27-14-9-19/h8-9,13-14,16-18H,3-7,10-12,15H2,1-2H3
SMILES CCCCC1(CCCCC1)c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccncc1
InChI Key PRTBXQJUAQFMRV-UHFFFAOYSA-N
Molecular Formula C26H31NO3
Exact Mass 405.529 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRTBXQJUAQFMRV-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/PRTBXQJUAQFMRV-UHFFFAOYSA-N/CHMO0000630
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • 7-(1-butylcyclohexyl)-5-methoxy-3-(pyridin-4-ylmethyl)chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4868184 ChEMBL
    164623331 PubChem
    The data in this table is sourced from UniChem at EBI.