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/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3
SMILES CCCCCNc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3c1nc2n(c1NCCCCC)cccc2
InChI Key NGPFPSHZDMLAMO-UHFFFAOYSA-N
Molecular Formula C40H46N6
Exact Mass 610.833 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NGPFPSHZDMLAMO-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/NGPFPSHZDMLAMO-UHFFFAOYSA-N/CHMO0001148
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:59:12.944502
MetadataModified 2024-09-07T22:31:50.780363
MetadataPublished 2022-07-25
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889655 PubChem
The data in this table is sourced from UniChem at EBI.