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/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

Data and Resources

Metadata Information

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
Related Molecule
  • (E)-N-(1,3-benzothiazol-2-yl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);triphenylphosphane
    • 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.