Dataset

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

Chemical Info

InChI	InChI=1S/C39H32OP2.C12H11N2.Cu/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-10-4-6-11(7-5-10)14-9-12-3-2-8-13-12;/h3-28H,1-2H3;2-9H,1H3;/q;-1;+1/b;14-9+;
SMILES	CC1(C)c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cc1ccc(cc1)/N=C/c1cccn1[Cu]
InChI Key	MHXCDLXKIQSKSW-WNLPKAFNSA-N
Exact Mass	825.393 g/mol

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MHXCDLXKIQSKSW-WNLPKAFNSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/MHXCDLXKIQSKSW-WNLPKAFNSA-N/CHMO0001146
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:16:41.756403
MetadataModified	2024-09-23T09:22:47.370588
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 : Nov10-2023-braese date : 20231110 starting time : 16.06 h instrument : spect label : VF-135 id : 106339 Solvent : chloroform-D1 (CDCl3)

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