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/C30H22N4O2/c35-29(27-25(19-11-3-1-4-12-19)31-21-15-7-9-17-23(21)33-27)30(36)28-26(20-13-5-2-6-14-20)32-22-16-8-10-18-24(22)34-28/h1-18,29-30,35-36H
SMILES OC(C(c1nc2ccccc2nc1c1ccccc1)O)c1nc2ccccc2nc1c1ccccc1
InChI Key JKLKZLIJVURMGA-UHFFFAOYSA-N
Molecular Formula C30H22N4O2
Exact Mass 470.521 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JKLKZLIJVURMGA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JKLKZLIJVURMGA-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:24:48.052477
MetadataModified 2024-09-07T20:53:23.533554
MetadataPublished 2021-12-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
162369945 PubChem
The data in this table is sourced from UniChem at EBI.