Dataset

11B nuclear magnetic resonance spectroscopy (11B NMR)

dataset for 11B nuclear magnetic resonance spectroscopy (11B NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H30BNO4/c1-25(2)26(3,4)32-27(31-25)19-7-9-20(10-8-19)28(21-11-15-23(29-5)16-12-21)22-13-17-24(30-6)18-14-22/h7-18H,1-6H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key MARLZALFJNQDEJ-UHFFFAOYSA-N
Molecular Formula C26H30BNO4
Exact Mass 431.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MARLZALFJNQDEJ-UHFFFAOYSA-N/CHMO0000594.1
License URL
Source https://www.chemotion-repository.net/inchikey/MARLZALFJNQDEJ-UHFFFAOYSA-N/CHMO0000594.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • N,N-bis(4-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • Field Value
    Measurement Technique 11B nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71231237 PubChem
    ZINC000208939815 ZINC
    J2.970.009E Nikkaji
    SCHEMBL14646280 SureChEMBL
    CB42596299 ChemicalBook
    The data in this table is sourced from UniChem at EBI.