Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C23H20N6O3/c1-3-32-23(30)20-14-28(13-17-6-4-5-16(11-17)12-24)26-22(20)29-15-21(25-27-29)18-7-9-19(31-2)10-8-18/h4-11,14-15H,3,13H2,1-2H3
SMILES CCOC(=O)c1cn(nc1n1nnc(c1)c1ccc(cc1)OC)Cc1cccc(c1)C#N
InChI Key KJMWCYALHNEPDX-UHFFFAOYSA-N
Molecular Formula C23H20N6O3
Exact Mass 428.443 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KJMWCYALHNEPDX-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/KJMWCYALHNEPDX-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:37:22.486198
MetadataModified 2024-09-08T02:37:22.486203
MetadataPublished 2024-02-14
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables