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/C11H10N2O2/c1-15-11(14)9-6-5-7-3-2-4-8(12)10(7)13-9/h2-6H,12H2,1H3
SMILES COC(=O)c1ccc2c(n1)c(N)ccc2
InChI Key HXVOLPKNEJWEJM-UHFFFAOYSA-N
Molecular Formula C11H10N2O2
Exact Mass 202.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HXVOLPKNEJWEJM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HXVOLPKNEJWEJM-UHFFFAOYSA-N/CHMO0000593
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:20:12.281502
MetadataModified 2024-09-07T21:58:58.246990
MetadataPublished 2022-03-14
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
9877675 PubChem
36834043 eMolecules
SCHEMBL4819927 SureChEMBL
14843437 PubChem: Thomson Pharma
ZINC000039085140 ZINC
The data in this table is sourced from UniChem at EBI.