Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h1-7H/b2-1+
SMILES O=C/C=C/c1ccncc1
InChI Key PEIRJCZXFPMXTI-OWOJBTEDSA-N
Molecular Formula C8H7NO
Exact Mass 133.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PEIRJCZXFPMXTI-OWOJBTEDSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/PEIRJCZXFPMXTI-OWOJBTEDSA-N/CHMO0000630
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • (E)-3-pyridin-4-ylprop-2-enal
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5371936 PubChem
    SCHEMBL1308464 SureChEMBL
    16544751 PubChem: Thomson Pharma
    ZINC000033844970 ZINC
    J533.993F Nikkaji
    J1.386.668F Nikkaji
    XEDVUB CCDC
    The data in this table is sourced from UniChem at EBI.