Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H13BrO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3
SMILES CC(c1cc(O)c(cc1Br)C)C
InChI Key YDZJYFWYHBUUKA-UHFFFAOYSA-N
Molecular Formula C10H13BrO
Exact Mass 229.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YDZJYFWYHBUUKA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YDZJYFWYHBUUKA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 4-bromo-2-methyl-5-propan-2-ylphenol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4852594 eMolecules
    121665-99-4 ACToR
    SCHEMBL6643213 SureChEMBL
    16107687 PubChem: Thomson Pharma
    2764177 PubChem
    MCULE-8592696648 Mcule
    DTXSID00377340 EPA CompTox Dashboard
    ZINC000000169797 ZINC
    The data in this table is sourced from UniChem at EBI.