Dataset

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

Chemical Info

InChI	InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*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;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1
SMILES	c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[Cu+]
InChI Key	ZVVVMNPCOQCMKO-UHFFFAOYSA-M
Exact Mass	870.637 g/mol

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZVVVMNPCOQCMKO-UHFFFAOYSA-M/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/ZVVVMNPCOQCMKO-UHFFFAOYSA-M/CHMO0001146
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:15:17.927664
MetadataModified	2024-09-23T09:25:34.738605
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 : 13.26 h instrument : spect label : VF-764 id : 113164 Solvent : chloroform-D1 (CDCl3)

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