Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C38H16Br2F12N4/c39-25-31-32(54-28(18-3-11-22(12-4-18)36(44,45)46)27(53-31)17-1-9-21(10-2-17)35(41,42)43)26(40)34-33(25)55-29(19-5-13-23(14-6-19)37(47,48)49)30(56-34)20-7-15-24(16-8-20)38(50,51)52/h1-16H
SMILES FC(c1ccc(cc1)c1nc2c(nc1c1ccc(cc1)C(F)(F)F)c(Br)c1c(c2Br)nc(c(n1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F
InChI Key LJRHCQAYWADNOO-UHFFFAOYSA-N
Exact Mass 916.349 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LJRHCQAYWADNOO-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LJRHCQAYWADNOO-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    date : 2025-03-11

    starting time : 12:43:29 UTC

    creator : Sylvia Vanderheiden-Schroen

    label : SVS-3872

    id : 358636

    Solvent : CDCl3

    temperature : 299.9998 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Name : TopSpin

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