Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

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/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/LJRHCQAYWADNOO-UHFFFAOYSA-N/CHMO0000596.1
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 distortionless enhancement with polarization transfer
    Measurement Variables
    Date : 2025-03-11

    Start time : 12:42:02 UTC

    Creator : Sylvia Vanderheiden-Schroen

    Label : SVS-3872

    ID : 358636

    Solvent : CDCl3

    Temperature : 300.0001 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Name : TopSpin

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