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/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
SMILES C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cccc2)O
InChI Key KMPWYEUPVWOPIM-KODHJQJWSA-N
Molecular Formula C19H22N2O
Exact Mass 294.391 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KMPWYEUPVWOPIM-KODHJQJWSA-N/CHMO0001148.1
License URL
Source https://www.chemotion-repository.net/inchikey/KMPWYEUPVWOPIM-KODHJQJWSA-N/CHMO0001148.1
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:47:18.108547
MetadataModified 2025-01-29T16:39:43.133683
MetadataPublished 2024-11-28
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
29536030 eMolecules
30152443 eMolecules
3703 ChEBI
CHEMBL533841 ChEMBL
DB16831 DrugBank
101744 PubChem
16024508 PubChem: Thomson Pharma
SCHEMBL159532 SureChEMBL
60032696 NMRShiftDB
LSM-6591 LINCS
PD001559 ProbesDrugs
1U622LRA8Z FDA SRS
CINDIN CCDC
J1.486.638H Nikkaji
MCULE-2763608867 Mcule
J6.003H Nikkaji
ZINC000000155697 ZINC
HY-N0173 MedChemExpress
29857 Brenda
DTXSID60883396 EPA CompTox Dashboard
MTBLC3703 Metabolights
The data in this table is sourced from UniChem at EBI.