Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H25NO/c1-4-5-13-20-14-17(16-10-6-7-11-18(16)20)19(21)12-8-9-15(2)3/h6-8,10-12,14-15H,4-5,9,13H2,1-3H3/b12-8+
SMILES CCCCn1cc(c2c1cccc2)C(=O)/C=C/CC(C)C
InChI Key MQAMEYFLXKJJPK-XYOKQWHBSA-N
Molecular Formula C19H25NO
Exact Mass 283.408 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MQAMEYFLXKJJPK-XYOKQWHBSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MQAMEYFLXKJJPK-XYOKQWHBSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (E)-1-(1-butylindol-3-yl)-5-methylhex-2-en-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453848 pubchem
    The data in this table is sourced from UniChem at EBI.