Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7NO/c10-7-3-5-8-4-1-2-6-9-8/h1-7H/b5-3+
SMILES O=C/C=C/c1ccccn1
InChI Key ZVEJSCDZTXEUBM-HWKANZROSA-N
Molecular Formula C8H7NO
Exact Mass 133.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZVEJSCDZTXEUBM-HWKANZROSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ZVEJSCDZTXEUBM-HWKANZROSA-N/CHMO0000630
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • (E)-3-pyridin-2-ylprop-2-enal
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16946515 PubChem: Thomson Pharma
    J1.402.551K Nikkaji
    11829484 PubChem
    ZINC000036466112 ZINC
    J1.702.042K Nikkaji
    SCHEMBL1435751 SureChEMBL
    The data in this table is sourced from UniChem at EBI.