Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,2H2,1H3
SMILES CCNc1ccc(cc1)C=O
InChI Key QBGRAELMPIMNON-UHFFFAOYSA-N
Molecular Formula C9H11NO
Exact Mass 149.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QBGRAELMPIMNON-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/QBGRAELMPIMNON-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:31:36.973270
MetadataModified 2024-09-07T17:05:48.056533
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB91042721 ChemicalBook
36008969 eMolecules
SCHEMBL5542224 SureChEMBL
DTXSID20507763 EPA CompTox Dashboard
ZINC000013346695 ZINC
12714578 PubChem
The data in this table is sourced from UniChem at EBI.