Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
SMILES O=C(NCc1ccccc1)NCc1ccccc1
InChI Key KATOLVAXCGIBLO-UHFFFAOYSA-N
Molecular Formula C15H16N2O
Exact Mass 240.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KATOLVAXCGIBLO-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/KATOLVAXCGIBLO-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:25:58.283711
MetadataModified 2024-09-08T00:25:59.574683
MetadataPublished 2023-02-23
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
50248768 BindingDB
CB1884445 ChemicalBook
ZINC000000084096 ZINC
DTXSID3061710 EPA CompTox Dashboard
J80.122D Nikkaji
XINRIV CCDC
CHEMBL504463 ChEMBL
ZV725XJ34V FDA SRS
1466-67-7 ACToR
15925098 PubChem: Thomson Pharma
72889 PubChem
20026480 NMRShiftDB
MCULE-6455496488 Mcule
SCHEMBL714625 SureChEMBL
857835 eMolecules
The data in this table is sourced from UniChem at EBI.