Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
SMILES	O=C(C(=O)c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2
InChI Key	CUUMQBIJNWGQLU-UHFFFAOYSA-N
Molecular Formula	C22H14O2
Exact Mass	310.345 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CUUMQBIJNWGQLU-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CUUMQBIJNWGQLU-UHFFFAOYSA-N/CHMO0000593
Version
Author	N. Maximilian Bojanowski
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:53:32.729748
MetadataModified	2024-09-07T23:43:48.601708
MetadataPublished	2022-11-04
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
16135021	PubChem: Thomson Pharma
SCHEMBL7220072	SureChEMBL
ZINC000005705162	ZINC
79772	Brenda
3274712	PubChem
50171924	BindingDB
J436.980G	Nikkaji
CHEMBL189162	ChEMBL
The data in this table is sourced from UniChem at EBI.