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/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
SMILES CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChI Key XMQSELBBYSAURN-UHFFFAOYSA-M
Molecular Formula C21H22BrP
Exact Mass 385.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XMQSELBBYSAURN-UHFFFAOYSA-M/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/XMQSELBBYSAURN-UHFFFAOYSA-M/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-05
Related Molecule
  • triphenyl(propyl)phosphanium;bromide
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : SVS-CCP-390

    date : 20240411

    starting time : 13.21 h

    label : CCP-376

    id : 137612

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    531165 eMolecules
    16076144 PubChem: Thomson Pharma
    SCHEMBL164032 SureChEMBL
    6228-47-3 ACToR
    CHEMBL3334701 ChEMBL
    CB5692318 ChemicalBook
    CB3501775 ChemicalBook
    80374 PubChem
    MCULE-8389949160 Mcule
    The data in this table is sourced from UniChem at EBI.