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/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/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FACYDDWLSGTKQN-UHFFFAOYSA-N/CHMO0000593
Version
Author Zhen Zhang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:57:06.046896
MetadataModified 2024-09-07T19:00:44.825777
MetadataPublished 2020-10-26
Related Molecule
Field Value
Measurement Technique 1H 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.