Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0001146
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:16:54.051357
MetadataModified	2024-09-23T09:22:48.211147
MetadataPublished	2024-04-17

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 8 scans title : Nov21-2023-braese date : 20231121 starting time : 22.10 h instrument : spect label : VF-239 id : 106443 Solvent : chloroform-D1 (CDCl3)