Dataset

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

Chemical Info

InChI	InChI=1S/2C18H15P.C12H8N3S.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9;/h2*1-15H;1-8H;/q;;-1;+1/b;;14-8+;
SMILES	c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu]n1cccc1/C=N/c1nc2c(s1)cccc2
InChI Key	KVOIVNBYNQXCNY-BOCHJOTCSA-N
Exact Mass	814.394 g/mol

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KVOIVNBYNQXCNY-BOCHJOTCSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/KVOIVNBYNQXCNY-BOCHJOTCSA-N/CHMO0001146
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:17:51.784728
MetadataModified	2024-09-23T09:22:50.953059
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 : 20.09 h instrument : spect label : VF-227 id : 106431 Solvent : chloroform-D1 (CDCl3)

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