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/C16H10N2O4/c1-17-13(19)7-3-5-9-12-10(16(22)18(2)15(9)21)6-4-8(11(7)12)14(17)20/h3-6H,1-2H3
SMILES CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C
InChI Key FERUHHWVLZNKMW-UHFFFAOYSA-N
Molecular Formula C16H10N2O4
Exact Mass 294.262 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FERUHHWVLZNKMW-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/FERUHHWVLZNKMW-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Joana Krämer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:46:00.217817
MetadataModified 2024-09-07T22:19:47.459193
MetadataPublished 2022-06-08
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DAHMUX CCDC
SCHEMBL127059 SureChEMBL
J1.513.721E Nikkaji
14869608 PubChem: Thomson Pharma
640538 eMolecules
2762446 PubChem
54555 Brenda
DTXSID60376218 EPA CompTox Dashboard
ZINC000003975306 ZINC
The data in this table is sourced from UniChem at EBI.