Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C37H26N2/c1-3-11-25(12-4-1)38-27-19-21-31-32-22-20-28(39-26-13-5-2-6-14-26)24-36(32)37(35(31)23-27)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-24,38-39H
SMILES c1ccc(cc1)Nc1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cc(cc3)Nc1ccccc1
InChI Key AQQGSOGWQTYHAX-UHFFFAOYSA-N
Exact Mass 498.616 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQQGSOGWQTYHAX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AQQGSOGWQTYHAX-UHFFFAOYSA-N/CHMO0000593
Version
Author Janine Haug
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-09-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
title : Jun23-2023-braese

date : 20230624

starting time : 7.05 h

label : JAH-73

id : 103445

Solvent : DMSO

temperature : 298.0 K

PULPROG : zg30

number of scans : 16 scans

instrument : spect

Data-Source Molecule ID Data-Source
31131453 surechembl
5894684 surechembl
69598560 pubchem
The data in this table is sourced from UniChem at EBI.