Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3
SMILES CC1(C)c2ccccc2N(c2c1cccc2)c1cc2c3ccccc3ob3c2c(c1)c1ccccc1o3
InChI Key RWAFQRMJZLVGOI-UHFFFAOYSA-N
Molecular Formula C33H24BNO2
Exact Mass 477.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RWAFQRMJZLVGOI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RWAFQRMJZLVGOI-UHFFFAOYSA-N/CHMO0000593
Version
Author Zhen Zhang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:55:44.752022
MetadataModified 2024-09-07T18:58:45.048332
MetadataPublished 2020-10-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453736 PubChem
SCHEMBL22147681 SureChEMBL
The data in this table is sourced from UniChem at EBI.