Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/VIAFLMPQBHAMLI-UHFFFAOYSA-N/CHMO0001146
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 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : SVS-CC01007

    date : 20240311

    starting time : 18.56 h

    label : SV-432

    id : 118438

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    SCHEMBL2507036 SureChEMBL
    15181804 PubChem: Thomson Pharma
    DTXSID40369209 EPA CompTox Dashboard
    MCULE-5206416172 Mcule
    2724699 PubChem
    480231 eMolecules
    The data in this table is sourced from UniChem at EBI.