Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C26H32B2O6/c1-23(2)24(3,4)32-27(31-23)19-13-9-17(10-14-19)21(29)22(30)18-11-15-20(16-12-18)28-33-25(5,6)26(7,8)34-28/h9-16H,1-8H3
SMILES O=C(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key BDTMRQVYWGTPFO-UHFFFAOYSA-N
Molecular Formula C26H32B2O6
Exact Mass 462.151 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BDTMRQVYWGTPFO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BDTMRQVYWGTPFO-UHFFFAOYSA-N/CHMO0000595
Version
Author Michael Rotter
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-21
Related Molecule
  • 1,2-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Sep24-2024-braese

    Date : 20240924

    Start time : 14.01 h

    Label : MRO-48

    ID : 130637

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    68776148 PubChem
    SCHEMBL3760918 SureChEMBL
    The data in this table is sourced from UniChem at EBI.