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/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19-/m0/s1
SMILES C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(O)cc2)O
InChI Key VJFMSYZSFUWQPZ-WXPXUSHHSA-N
Molecular Formula C19H22N2O2
Exact Mass 310.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJFMSYZSFUWQPZ-WXPXUSHHSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/VJFMSYZSFUWQPZ-WXPXUSHHSA-N/CHMO0001148
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:47:26.603987
MetadataModified 2025-01-29T16:39:51.284307
MetadataPublished 2024-11-28
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
11587639 PubChem
16690134 PubChem: Thomson Pharma
60032707 NMRShiftDB
CB01176643 ChemicalBook
ZINC000004215479 ZINC
SCHEMBL18194485 SureChEMBL
24714926 PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.