Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C22H36B2O4/c1-13-14(2)18(24-27-21(9,10)22(11,12)28-24)16(4)15(3)17(13)23-25-19(5,6)20(7,8)26-23/h1-12H3
SMILES CC1(C)OB(OC1(C)C)c1c(C)c(C)c(c(c1C)C)B1OC(C(O1)(C)C)(C)C
InChI Key UDXKUBQYIVJUSK-UHFFFAOYSA-N
Molecular Formula C22H36B2O4
Exact Mass 386.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDXKUBQYIVJUSK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UDXKUBQYIVJUSK-UHFFFAOYSA-N/CHMO0000593
Version
Author Jason Hofmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-25
Related Molecule
  • 4,4,5,5-tetramethyl-2-[2,3,5,6-tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Sep09-2024

    date : 20240909

    starting time : 11.58 h

    label : JSH-206

    id : 319683

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    155897220 PubChem
    The data in this table is sourced from UniChem at EBI.