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/C32H31BO2/c1-31(2)32(3,4)35-33(34-31)28-22-20-27(21-23-28)30(26-18-12-7-13-19-26)29(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h5-23H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI Key XIPGCKFASRXQSN-UHFFFAOYSA-N
Exact Mass 458.398 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XIPGCKFASRXQSN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/XIPGCKFASRXQSN-UHFFFAOYSA-N/CHMO0001146
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-13
Related Molecule
  • 4,4,5,5-tetramethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    date : 2026-04-08

    starting time : 22:46:53 UTC

    creator : Sylvia Vanderheiden-Schroen

    Solvent : CDCl3

    temperature : 298.061658508796 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    13581748 surechembl
    70944631 pubchem
    Molport-047-409-303 molport
    The data in this table is sourced from UniChem at EBI.