Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3
SMILES COc1ccc(cc1)Nc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key PRDMJFQHGRSLAC-UHFFFAOYSA-N
Molecular Formula C30H27N3O
Exact Mass 445.555 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRDMJFQHGRSLAC-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/PRDMJFQHGRSLAC-UHFFFAOYSA-N/CHMO0001148
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:03:03.948974
MetadataModified 2024-09-07T22:37:02.507014
MetadataPublished 2022-07-25
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889660 PubChem
The data in this table is sourced from UniChem at EBI.