Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C32H47B2NO4/c1-27(2,3)19-15-21-22-16-20(28(4,5)6)18-24(34-38-31(11,12)32(13,14)39-34)26(22)35-25(21)23(17-19)33-36-29(7,8)30(9,10)37-33/h15-18,35H,1-14H3
SMILES CC1(C)OB(OC1(C)C)c1cc(cc2c1[nH]c1c2cc(cc1B1OC(C(O1)(C)C)(C)C)C(C)(C)C)C(C)(C)C
InChI Key DKVPTRYKXNOTBR-UHFFFAOYSA-N
Molecular Formula C32H47B2NO4
Exact Mass 531.342 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DKVPTRYKXNOTBR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DKVPTRYKXNOTBR-UHFFFAOYSA-N/CHMO0000593
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-25
Related Molecule
  • 3,6-ditert-butyl-1,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12657281 surechembl
    68342666 pubchem
    Molport-053-110-155 molport
    The data in this table is sourced from UniChem at EBI.