Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
SMILES COc1ccc2c(c1c1c(O)ccc3c1cccc3)cccc2
InChI Key SYSSVMYYSHYMAQ-UHFFFAOYSA-N
Molecular Formula C21H16O2
Exact Mass 300.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYSSVMYYSHYMAQ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/SYSSVMYYSHYMAQ-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-05-16
Related Molecule
  • 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16049005 PubChem: Thomson Pharma
    318597 PubChem
    35193-70-5 ACToR
    79547-82-3 ACToR
    188865 ChEBI
    1121802 eMolecules
    SCHEMBL6563131 SureChEMBL
    CHEMBL1094828 ChEMBL
    CB7326534 ChemicalBook
    J3.345.403A Nikkaji
    J750.539F Nikkaji
    50316626 BindingDB
    ZINC000001557545 ZINC
    J2.215.848A Nikkaji
    The data in this table is sourced from UniChem at EBI.