Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C36H28OP2.C12H8N3S.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9;/h1-28H;1-8H;/q;-1;+1/b;14-8+;
SMILES	c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Cu]n1cccc1/C=N/c1nc2c(s1)cccc2
InChI Key	XWYMULSFAJAODR-TXTNVABFSA-N
Exact Mass	828.377 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0000595
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:16:59.196997
MetadataModified	2024-09-23T09:22:49.021192
MetadataPublished	2024-04-17

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Nov21-2023-braese Date : 20231121 Start time : 21.10 h Instrument : spect Label : VF-699 ID : 107001 Solvent : chloroform-D1 (CDCl3)

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