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/C21H15N3O2/c25-20(15-9-3-1-4-10-15)22-19-17-13-7-8-14-18(17)24(23-19)21(26)16-11-5-2-6-12-16/h1-14H,(H,22,23,25)
SMILES O=C(c1ccccc1)Nc1nn(c2c1cccc2)C(=O)c1ccccc1
InChI Key JZDIDTZRRZBTNF-UHFFFAOYSA-N
Molecular Formula C21H15N3O2
Exact Mass 341.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JZDIDTZRRZBTNF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JZDIDTZRRZBTNF-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:42:25.746275
MetadataModified 2024-09-07T21:15:48.021294
MetadataPublished 2022-01-10
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
12913060 PubChem
ZINC000085389588 ZINC
MCULE-5393410247 Mcule
The data in this table is sourced from UniChem at EBI.