Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C25H22BrNO4/c1-29-20-7-3-17(4-8-20)15-27-12-11-22-23(13-19(26)14-24(22)27)25(28)31-16-18-5-9-21(30-2)10-6-18/h3-14H,15-16H2,1-2H3
SMILES COc1ccc(cc1)COC(=O)c1cc(Br)cc2c1ccn2Cc1ccc(cc1)OC
InChI Key AQASDUWYMYHQGN-UHFFFAOYSA-N
Molecular Formula C25H22BrNO4
Exact Mass 480.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQASDUWYMYHQGN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AQASDUWYMYHQGN-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:22:48.590927
MetadataModified 2024-09-08T01:22:48.590932
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables