Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3
SMILES CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cccc3c1b(o2)oc1c3cccc1
InChI Key YMNLSOVGPZNUAI-UHFFFAOYSA-N
Molecular Formula C33H24BNO2
Exact Mass 477.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMNLSOVGPZNUAI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YMNLSOVGPZNUAI-UHFFFAOYSA-N/CHMO0000595
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(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453757 PubChem
    UKUBUA CCDC
    The data in this table is sourced from UniChem at EBI.