Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H23N/c1-2-3-4-5-6-9-13-17-14-12-15-10-7-8-11-16(15)17/h7-8,10-12,14H,2-6,9,13H2,1H3
SMILES CCCCCCCCn1ccc2c1cccc2
InChI Key VOWUHKQBOIRNJT-UHFFFAOYSA-N
Molecular Formula C16H23N
Exact Mass 229.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VOWUHKQBOIRNJT-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/VOWUHKQBOIRNJT-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-octylindole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12827273 PubChem
    J3.387.709I Nikkaji
    DTXSID70510883 EPA CompTox Dashboard
    SCHEMBL4976386 SureChEMBL
    The data in this table is sourced from UniChem at EBI.