Dataset

11B nuclear magnetic resonance spectroscopy (11B NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C30H18BNO3/c1-5-13-26-20(9-1)22-17-19(18-23-21-10-2-6-14-27(21)35-31(34-26)30(22)23)32-24-11-3-7-15-28(24)33-29-16-8-4-12-25(29)32/h1-18H
SMILES c1ccc2c(c1)Oc1c(N2c2cc3c4ccccc4ob4c3c(c2)c2ccccc2o4)cccc1
InChI Key FACYDDWLSGTKQN-UHFFFAOYSA-N
Molecular Formula C30H18BNO3
Exact Mass 451.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FACYDDWLSGTKQN-UHFFFAOYSA-N/CHMO0000594
License URL
Source https://www.chemotion-repository.net/inchikey/FACYDDWLSGTKQN-UHFFFAOYSA-N/CHMO0000594
Version
Author Zhen Zhang
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-26
Related Molecule
  • 10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenoxazine
    • Field Value
    Measurement Technique 11B nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453734 PubChem
    UKUBIO CCDC
    The data in this table is sourced from UniChem at EBI.