Dataset

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

Chemical Info

InChI	InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(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;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2
SMILES	c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Cu+].[Cu+]
InChI Key	MGDYVPDVFVURBP-UHFFFAOYSA-L
Exact Mass	1586.171 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/MGDYVPDVFVURBP-UHFFFAOYSA-L/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/MGDYVPDVFVURBP-UHFFFAOYSA-L/CHMO0001146
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:15:32.734933
MetadataModified	2024-09-23T09:25:36.632001
MetadataPublished	2024-07-23

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 : Mar05-2024-braese date : 20240305 starting time : 19.16 h instrument : spect label : VF-790 id : 113644 Solvent : chloroform-D1 (CDCl3)