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/c1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h3-7H,1-2H3,(H,13,14)
SMILES CC(c1nc2ccccc2[nH]c1=O)C
InChI Key CWFPSKVBKAPBPV-UHFFFAOYSA-N
Molecular Formula C11H12N2O
Exact Mass 188.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CWFPSKVBKAPBPV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CWFPSKVBKAPBPV-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:09:09.105964
MetadataModified 2024-09-07T21:50:29.927873
MetadataPublished 2022-02-11
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
491327 PubChem
MCULE-5828133975 Mcule
J1.412.811E Nikkaji
MolPort-005-725-508 MolPort
CHEMBL4786640 ChEMBL
SCHEMBL12794452 SureChEMBL
The data in this table is sourced from UniChem at EBI.