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/C11H10N2O3/c1-2-16-11(15)9-10(14)13-8-6-4-3-5-7(8)12-9/h3-6H,2H2,1H3,(H,13,14)
SMILES CCOC(=O)c1nc2ccccc2nc1O
InChI Key MIIFHRBUBUHJMC-UHFFFAOYSA-N
Molecular Formula C11H10N2O3
Exact Mass 218.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIIFHRBUBUHJMC-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MIIFHRBUBUHJMC-UHFFFAOYSA-N/CHMO0000595
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:10:26.867784
MetadataModified 2024-09-07T20:34:50.232198
MetadataPublished 2021-09-23
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.019.260I Nikkaji
SCHEMBL880365 SureChEMBL
PAGNIX CCDC
CB6259215 ChemicalBook
MCULE-4997296410 Mcule
DTXSID30289987 EPA CompTox Dashboard
ZINC000008622307 ZINC
663677 eMolecules
248643 PubChem
16251851 PubChem: Thomson Pharma
36818-07-2 ACToR
10155382 eMolecules
The data in this table is sourced from UniChem at EBI.