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/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3
SMILES Cc1ccnc2c1cccc2N
InChI Key JRIMCEIADALFEE-UHFFFAOYSA-N
Molecular Formula C10H10N2
Exact Mass 158.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JRIMCEIADALFEE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JRIMCEIADALFEE-UHFFFAOYSA-N/CHMO0000595
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:05:54.806510
MetadataModified 2025-01-29T15:59:39.782206
MetadataPublished 2024-10-10
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
97374 PubChem
16178554 PubChem: Thomson Pharma
62748-01-0 ACToR
J90.211J Nikkaji
SCHEMBL4640797 SureChEMBL
MCULE-2290391542 Mcule
DTXSID4069632 EPA CompTox Dashboard
ZINC000001440381 ZINC
CB12292213 ChemicalBook
CHEMBL1890904 ChEMBL
812080 eMolecules
The data in this table is sourced from UniChem at EBI.