Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C22H14O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
SMILES O=C(c1cccc2c1cccc2)C(=O)c1cccc2c1cccc2
InChI Key BBWHFKLQXLXHNI-UHFFFAOYSA-N
Molecular Formula C22H14O2
Exact Mass 310.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BBWHFKLQXLXHNI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BBWHFKLQXLXHNI-UHFFFAOYSA-N/CHMO0000593
Version
Author N. Maximilian Bojanowski
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:53:26.350099
MetadataModified 2024-09-07T23:43:40.220297
MetadataPublished 2022-11-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10282653 EPA CompTox Dashboard
J488.528G Nikkaji
DACJAS CCDC
231249 PubChem
3457-41-8 ACToR
SCHEMBL7218991 SureChEMBL
ZINC000001634291 ZINC
The data in this table is sourced from UniChem at EBI.