Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/3C12H8N2.2ClH.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
SMILES C1=Cc2ccc3=CC=CN4=c3c2N(=C1)[Ru+2]124(N3=CC=Cc4c3c3=N2C=CC=c3cc4)N2=CC=Cc3c2c2=N1C=CC=c2cc3.[Cl-].[Cl-]
InChI Key UWXWBVKIJZGXQL-UHFFFAOYSA-L
Molecular Formula C36H24Cl2N6Ru
Exact Mass 712.592 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWXWBVKIJZGXQL-UHFFFAOYSA-L/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UWXWBVKIJZGXQL-UHFFFAOYSA-L/CHMO0000595
Version
Author Elena Foitzik
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:02:34.028893
MetadataModified 2025-01-29T15:56:25.642704
MetadataPublished 2024-10-01
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
29915270 eMolecules
6096197 PubChem
168121 PubChem
5148031 PubChem
CB1175017 ChemicalBook
26683716 PubChem: Thomson Pharma
163530003 PubChem: Thomson Pharma
23570-43-6 ACToR
138375736 PubChem
SCHEMBL951492 SureChEMBL
The data in this table is sourced from UniChem at EBI.