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/C10H8N2O2/c1-7-5-6-11-10-8(7)3-2-4-9(10)12(13)14/h2-6H,1H3
SMILES [O-][N+](=O)c1cccc2c1nccc2C
InChI Key ZNGIJEBXIREQLE-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
Exact Mass 188.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNGIJEBXIREQLE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZNGIJEBXIREQLE-UHFFFAOYSA-N/CHMO0000595
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:06:11.930845
MetadataModified 2025-01-29T15:59:56.724490
MetadataPublished 2024-10-10
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
836626 eMolecules
CHEMBL2358273 ChEMBL
76048 PubChem
SCHEMBL4642926 SureChEMBL
16791223 PubChem: Thomson Pharma
2801-29-8 ACToR
CB9160419 ChemicalBook
MCULE-5104961620 Mcule
ZINC000000080357 ZINC
DTXSID9062649 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.