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/C14H10N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,16,17)
SMILES O=c1[nH]c2ccccc2nc1c1ccccc1
InChI Key ZBBQSGVRBQKLLE-UHFFFAOYSA-N
Molecular Formula C14H10N2O
Exact Mass 222.242 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/CHMO0000595
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:26:20.321549
MetadataModified 2024-09-07T16:58:33.937975
MetadataPublished 2020-02-25
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
919675 eMolecules
2176538 eMolecules
346902 PubChem
1504-78-5 ACToR
LSM-19490 LINCS
SCHEMBL1901480 SureChEMBL
MCULE-4361151617 Mcule
20182089 NMRShiftDB
ZINC000017945129 ZINC
CHEMBL1392897 ChEMBL
DTXSID60323944 EPA CompTox Dashboard
108113 ChEBI
MUYQUU CCDC
J466.201F Nikkaji
56750 BindingDB
The data in this table is sourced from UniChem at EBI.