Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H18O3/c1-11-12(2)18-16(13(3)17(11)20)10-15(19(21)22-18)9-14-7-5-4-6-8-14/h4-8,10,20H,9H2,1-3H3
SMILES O=c1oc2c(C)c(C)c(c(c2cc1Cc1ccccc1)C)O
InChI Key IYQVJJRCWZSDNK-UHFFFAOYSA-N
Molecular Formula C19H18O3
Exact Mass 294.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IYQVJJRCWZSDNK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IYQVJJRCWZSDNK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-benzyl-6-hydroxy-5,7,8-trimethylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000096270881 ZINC
    50434879 BindingDB
    71682641 PubChem
    CHEMBL2387535 ChEMBL
    The data in this table is sourced from UniChem at EBI.