Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C25H22O/c26-25-23-4-2-1-3-19(23)15-16-22-20-11-9-17-5-7-18(8-6-17)10-12-21(14-13-20)24(22)25/h1-8,13-14H,9-12,15-16H2
SMILES O=C1c2c3CCc4ccc(CCc(c2CCc2c1cccc2)cc3)cc4
InChI Key IDTBYMIQPLRBEI-UHFFFAOYSA-N
Molecular Formula C25H22O
Exact Mass 338.442 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDTBYMIQPLRBEI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IDTBYMIQPLRBEI-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • pentacyclo[11.8.2.216,19.02,12.04,9]pentacosa-1,4,6,8,12,16,18,22,24-nonaen-3-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453490 PubChem
    The data in this table is sourced from UniChem at EBI.