Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,1H3
SMILES COC(=O)c1ccnc2c1cccc2
InChI Key KPZUGRPXEZGEGE-UHFFFAOYSA-N
Molecular Formula C11H9NO2
Exact Mass 187.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KPZUGRPXEZGEGE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KPZUGRPXEZGEGE-UHFFFAOYSA-N/CHMO0000595
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:05:20.345834
MetadataModified 2025-01-29T15:59:07.910871
MetadataPublished 2024-10-10
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL827693 SureChEMBL
10663157 eMolecules
DTXSID10388240 EPA CompTox Dashboard
J1.830.174A Nikkaji
CB6416144 ChemicalBook
ZINC000014684879 ZINC
MCULE-2544036051 Mcule
3002895 PubChem
The data in this table is sourced from UniChem at EBI.