Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H10N2O4/c1-17-11(15)9-10(12(16)18-2)14-8-6-4-3-5-7(8)13-9/h3-6H,1-2H3
SMILES COC(=O)c1nc2ccccc2nc1C(=O)OC
InChI Key KJGMTJLKKFWUBJ-UHFFFAOYSA-N
Molecular Formula C12H10N2O4
Exact Mass 246.219 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KJGMTJLKKFWUBJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KJGMTJLKKFWUBJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:27:33.074123
MetadataModified 2024-09-07T19:39:50.986414
MetadataPublished 2021-04-30
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
54107-99-2 ACToR
DTXSID40305203 EPA CompTox Dashboard
J1.695.002E Nikkaji
ZINC000001678508 ZINC
298052 PubChem
The data in this table is sourced from UniChem at EBI.