Dataset

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

Chemical Info

InChI	InChI=1S/4C18H15P.C6H4N2Se.2ClHO4.2Cu/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h4*1-15H;1-4H;2*(H,2,3,4,5);;/q;;;;;;;2*+1/p-2
SMILES	c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Cu+].[Cu+]
InChI Key	IJTSCRZYFPRHQA-UHFFFAOYSA-L
Exact Mass	1558.204 g/mol

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IJTSCRZYFPRHQA-UHFFFAOYSA-L/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/IJTSCRZYFPRHQA-UHFFFAOYSA-L/CHMO0001146
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:16:15.124391
MetadataModified	2024-09-23T09:25:37.985591
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 : 16.21 h instrument : spect label : VF-776 id : 113291 Solvent : chloroform-D1 (CDCl3)

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