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/C19H23N3O/c1-2-12-11-22-8-6-13(12)9-18(22)19(23)15-5-7-21-17-4-3-14(20)10-16(15)17/h2-5,7,10,12-13,18-19,23H,1,6,8-9,11,20H2/t12-,13-,18+,19-/m0/s1
SMILES C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(N)cc2)O
InChI Key PPQWXNWLIDJACB-WXPXUSHHSA-N
Molecular Formula C19H23N3O
Exact Mass 309.405 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PPQWXNWLIDJACB-WXPXUSHHSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/PPQWXNWLIDJACB-WXPXUSHHSA-N/CHMO0001148
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:02:57.543126
MetadataModified 2025-01-29T15:56:45.869831
MetadataPublished 2024-10-05
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
168445338 PubChem
The data in this table is sourced from UniChem at EBI.