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/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+
SMILES Br/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2)/c1ccccc1
InChI Key SSDAPHKBPYAYKP-YVFGNCJRSA-N
Molecular Formula C38H25BrN4
Exact Mass 617.536 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SSDAPHKBPYAYKP-YVFGNCJRSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SSDAPHKBPYAYKP-YVFGNCJRSA-N/CHMO0000593
Version
Author Christoph Schissler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:00:45.066253
MetadataModified 2024-09-07T17:45:22.400188
MetadataPublished 2020-04-17
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
28220021 eMolecules
16717030 PubChem: Thomson Pharma
CB52474686 ChemicalBook
MAXVIU CCDC
J2.226.347A Nikkaji
J2.016.150G Nikkaji
SCHEMBL15943807 SureChEMBL
The data in this table is sourced from UniChem at EBI.