Dataset

nuclear magnetic resonance spectroscopy (NMR)

dataset for nuclear magnetic resonance spectroscopy (NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H12N2O2/c17-9-13-5-1-3-11(15-13)7-8-12-4-2-6-14(10-18)16-12/h1-6,9-10H,7-8H2
SMILES O=Cc1cccc(n1)CCc1cccc(n1)C=O
InChI Key ZLWCJIJDQBYWSZ-UHFFFAOYSA-N
Molecular Formula C14H12N2O2
Exact Mass 240.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZLWCJIJDQBYWSZ-UHFFFAOYSA-N/CHMO0000591
License URL
Source https://www.chemotion-repository.net/inchikey/ZLWCJIJDQBYWSZ-UHFFFAOYSA-N/CHMO0000591
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:53:59.354784
MetadataModified 2024-09-08T00:53:59.354788
MetadataPublished 2023-04-13
Field Value
Measurement Technique nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.441.667D Nikkaji
SCHEMBL12664449 SureChEMBL
4277547 PubChem
ZINC000003132822 ZINC
MCULE-1823074233 Mcule
1106420 eMolecules
The data in this table is sourced from UniChem at EBI.