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/C11H12N2O/c1-2-11(14)13-9-4-3-8-5-6-12-10(8)7-9/h3-7,12H,2H2,1H3,(H,13,14)
SMILES CCC(=O)Nc1ccc2c(c1)[nH]cc2
InChI Key JNOAJNPHSRRUCY-UHFFFAOYSA-N
Molecular Formula C11H12N2O
Exact Mass 188.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JNOAJNPHSRRUCY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JNOAJNPHSRRUCY-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:15:45.054844
MetadataModified 2024-09-08T01:15:45.054849
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
110730788 PubChem
The data in this table is sourced from UniChem at EBI.