Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/MARLZALFJNQDEJ-UHFFFAOYSA-N/CHMO0000595.1
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : May08-2024

    Date : 20240509

    Start time : 13.49

    Label : HT-89

    ID : 117473

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    14646280 surechembl
    71231237 pubchem
    Molport-046-682-920 molport
    The data in this table is sourced from UniChem at EBI.