Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C30H43O2P.C12H10N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1
SMILES	Nc1ccccc1c1ccccc1[Pd]OS(=O)(=O)C.CC(Oc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC(C)C)C
InChI Key	AXZLIMCJMPNFFU-UHFFFAOYSA-M
Exact Mass	836.367 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AXZLIMCJMPNFFU-UHFFFAOYSA-M/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/AXZLIMCJMPNFFU-UHFFFAOYSA-M/CHMO0000599
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:04:30.141372
MetadataModified	2024-09-23T09:25:27.770976
MetadataPublished	2024-07-08

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : FAS-RuPhos-Pd-G3 date : 20240525 starting time : 10.53 h instrument : spect label : FAS-18 id : 115915 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.