Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C28H30/c1-3-7-11-23(12-8-4-1)25-15-19-27(20-16-25)28-21-17-26(18-22-28)24-13-9-5-2-6-10-14-24/h1-3,5,12,14-22H,4,6-11,13H2/b3-1-,5-2-,23-12+,24-14+
SMILES C1C=CCCC(=CC1)c1ccc(cc1)c1ccc(cc1)C1=CCCC=CCC1
InChI Key QNTOPDWQBCKAQE-ZNNNHQSUSA-N
Molecular Formula C28H30
Exact Mass 366.538 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QNTOPDWQBCKAQE-ZNNNHQSUSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QNTOPDWQBCKAQE-ZNNNHQSUSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1E,5Z)-1-[4-[4-[(1E,5Z)-cycloocta-1,5-dien-1-yl]phenyl]phenyl]cycloocta-1,5-diene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453852 pubchem
    The data in this table is sourced from UniChem at EBI.