Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H14O2/c1-12-10-6-4-9(5-7-10)11-3-2-8-13-11/h4-7,11H,2-3,8H2,1H3
SMILES COc1ccc(cc1)C1CCCO1
InChI Key SYLBBJRVLCOCTQ-UHFFFAOYSA-N
Molecular Formula C11H14O2
Exact Mass 178.228 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYLBBJRVLCOCTQ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/SYLBBJRVLCOCTQ-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-(4-methoxyphenyl)oxolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID10402314 EPA CompTox Dashboard
    J1.165.179H Nikkaji
    79623-15-7 ACToR
    4334278 eMolecules
    16191023 PubChem: Thomson Pharma
    4357092 PubChem
    The data in this table is sourced from UniChem at EBI.