Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C7H14O2/c8-5-1-3-7-4-2-6-9-7/h7-8H,1-6H2
SMILES OCCCC1CCCO1
InChI Key XVYHFICIWQBZDI-UHFFFAOYSA-N
Molecular Formula C7H14O2
Exact Mass 130.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XVYHFICIWQBZDI-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/XVYHFICIWQBZDI-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 3-(oxolan-2-yl)propan-1-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    974220 eMolecules
    767-08-8 ACToR
    SCHEMBL970008 SureChEMBL
    MCULE-9721808816 Mcule
    J49.601D Nikkaji
    DTXSID90883349 EPA CompTox Dashboard
    13020 PubChem
    The data in this table is sourced from UniChem at EBI.