Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C48H37BN2O2/c1-47(2)36-16-5-9-20-40(36)50(41-21-10-6-17-37(41)47)30-24-26-44-34(28-30)32-14-13-15-33-35-29-31(25-27-45(35)53-49(52-44)46(32)33)51-42-22-11-7-18-38(42)48(3,4)39-19-8-12-23-43(39)51/h5-29H,1-4H3
SMILES CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cccc3c1b(o2)oc1c3cc(cc1)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key RBYTXYRDKNCONV-UHFFFAOYSA-N
Molecular Formula C48H37BN2O2
Exact Mass 684.631 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RBYTXYRDKNCONV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RBYTXYRDKNCONV-UHFFFAOYSA-N/CHMO0000593
Version
Author Zhen Zhang
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-26
Related Molecule
  • 10-[16-(9,9-dimethylacridin-10-yl)-2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaen-6-yl]-9,9-dimethylacridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154723628 PubChem
    The data in this table is sourced from UniChem at EBI.