Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
SMILES Cc1cc(cc(n1)C)B1OC(C(O1)(C)C)(C)C
InChI Key XYNDKPYVNTVDAH-UHFFFAOYSA-N
Exact Mass 233.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XYNDKPYVNTVDAH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XYNDKPYVNTVDAH-UHFFFAOYSA-N/CHMO0000593
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30156032 eMolecules
    12007219 PubChem
    SCHEMBL4671691 SureChEMBL
    QOFYUH CCDC
    CB72457564 ChemicalBook
    J2.353.496G Nikkaji
    DTXSID70475680 EPA CompTox Dashboard
    ZINC000169746153 ZINC
    The data in this table is sourced from UniChem at EBI.