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/C39H32OP2.C11H8BrN2.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;12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11;/h3-28H,1-2H3;1-8H;/q;-1;+1/b;14-8+;
SMILES CC1(C)c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Brc1ccc(cc1)/N=C/c1cccn1[Cu]
InChI Key LYCVEUSFVISIMN-TXTNVABFSA-N
Exact Mass 890.263 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYCVEUSFVISIMN-TXTNVABFSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LYCVEUSFVISIMN-TXTNVABFSA-N/CHMO0001146
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:14:47.714818
MetadataModified 2024-09-23T09:22:43.731317
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 : 20231114

starting time : 23.08 h

instrument : spect

label : VF-182

id : 106386

Solvent : chloroform-D1 (CDCl3)

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