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/C10H11N3O/c1-2-10(14)12-8-4-3-7-6-11-13-9(7)5-8/h3-6H,2H2,1H3,(H,11,13)(H,12,14)
SMILES CCC(=O)Nc1ccc2c(c1)[nH]nc2
InChI Key LNOMWBXWVZWSTI-UHFFFAOYSA-N
Molecular Formula C10H11N3O
Exact Mass 189.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNOMWBXWVZWSTI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LNOMWBXWVZWSTI-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:15:41.763186
MetadataModified 2024-09-08T01:15:41.763191
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
60653886 PubChem
The data in this table is sourced from UniChem at EBI.