Dataset

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

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C36H28OP2.C11H8BrN2.Cu/c1-5-17-29(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;12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11;/h1-28H;1-8H;/q;-1;+1/b;14-8+;
SMILES c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.Brc1ccc(cc1)/N=C/c1cccn1[Cu]
InChI Key VENAIISKDMHCNF-TXTNVABFSA-N
Exact Mass 850.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VENAIISKDMHCNF-TXTNVABFSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/VENAIISKDMHCNF-TXTNVABFSA-N/CHMO0001146
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:14:17.675988
MetadataModified 2024-09-23T09:22:42.940739
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 : Nov14-2023-braese

date : 20231115

starting time : 1.09 h

instrument : spect

label : VF-187

id : 106391

Solvent : chloroform-D1 (CDCl3)

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