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/C46H42N6O2/c53-43-32-18-7-8-19-33(32)44(54)37-28-29(24-25-34(37)43)40-35(41-45(47-30-14-3-1-4-15-30)51-26-11-9-22-38(51)49-41)20-13-21-36(40)42-46(48-31-16-5-2-6-17-31)52-27-12-10-23-39(52)50-42/h7-13,18-28,30-31,47-48H,1-6,14-17H2
SMILES O=C1c2ccc(cc2C(=O)c2c1cccc2)c1c(cccc1c1nc2n(c1NC1CCCCC1)cccc2)c1nc2n(c1NC1CCCCC1)cccc2
InChI Key DKFXOUWDGJUHSG-UHFFFAOYSA-N
Molecular Formula C46H42N6O2
Exact Mass 710.865 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DKFXOUWDGJUHSG-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/DKFXOUWDGJUHSG-UHFFFAOYSA-N/CHMO0001148
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:40:40.937110
MetadataModified 2024-09-08T01:40:40.937115
MetadataPublished 2023-10-02
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
168665442 PubChem
The data in this table is sourced from UniChem at EBI.