Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/3C10H8N2.2ClH.6H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2
SMILES c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.[Cl-].[Cl-].[Ru+2].O.O.O.O.O.O
InChI Key WHELTKFSBJNBMQ-UHFFFAOYSA-L
Molecular Formula C30H36Cl2N6O6Ru
Exact Mass 748.619 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WHELTKFSBJNBMQ-UHFFFAOYSA-L/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/WHELTKFSBJNBMQ-UHFFFAOYSA-L/CHMO0000601
Version
Author Elena Foitzik
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:51:26.181198
MetadataModified 2024-09-08T03:51:26.181205
MetadataPublished 2024-06-11
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
712950 eMolecules
16211607 PubChem
MolPort-027-835-001 MolPort
SCHEMBL72119 SureChEMBL
CB7101742 ChemicalBook
MolPort-003-928-102 MolPort
489700 eMolecules
2724201 PubChem
56255877 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.