Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\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/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/KATOLVAXCGIBLO-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:26:37.838725
MetadataModified 2024-09-08T00:26:52.348084
MetadataPublished 2023-02-23
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL504463 ChEMBL
857835 eMolecules
15925098 PubChem: Thomson Pharma
1466-67-7 ACToR
ZV725XJ34V FDA SRS
20026480 NMRShiftDB
MCULE-6455496488 Mcule
SCHEMBL714625 SureChEMBL
J80.122D Nikkaji
ZINC000000084096 ZINC
XINRIV CCDC
50248768 BindingDB
CB1884445 ChemicalBook
DTXSID3061710 EPA CompTox Dashboard
72889 PubChem
The data in this table is sourced from UniChem at EBI.