Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H27NO/c1-2-3-4-5-6-12-17-24-18-21(20-15-10-11-16-22(20)24)23(25)19-13-8-7-9-14-19/h7-11,13-16,18H,2-6,12,17H2,1H3
SMILES CCCCCCCCn1cc(c2c1cccc2)C(=O)c1ccccc1
InChI Key IIBBKOJOJPNZAF-UHFFFAOYSA-N
Molecular Formula C23H27NO
Exact Mass 333.467 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IIBBKOJOJPNZAF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IIBBKOJOJPNZAF-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1-octylindol-3-yl)-phenylmethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453645 PubChem
    The data in this table is sourced from UniChem at EBI.