Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

Molecular Image
InChI InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
SMILES C1CCN(C1)[P+](N1CCCC1)(N1CCCC1)On1nnc2c1cccc2.F[P-](F)(F)(F)(F)F
InChI Key VIAFLMPQBHAMLI-UHFFFAOYSA-N
Molecular Formula C18H28F6N6OP2
Exact Mass 520.392 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VIAFLMPQBHAMLI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VIAFLMPQBHAMLI-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : SVS-CC01007

    Date : 20240305

    Start time : 7.53 h

    Label : SV-432

    ID : 118438

    Solvent : MeOD

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Title : SVS-CC01007

    Date : 20240311

    Start time : 16.10 h

    Label : SV-432

    ID : 118438

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    2507036 surechembl
    29354050 surechembl
    2724699 pubchem
    Y6KQR4GY6T fdasrs
    DTXSID40369209 comptox
    Molport-000-151-335 molport
    Molport-039-084-320 molport
    The data in this table is sourced from UniChem at EBI.