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/C14H13NO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
SMILES COc1ccc(cc1)/C=N/c1ccccc1
InChI Key MSWPGMRTURVKRJ-RVDMUPIBSA-N
Molecular Formula C14H13NO
Exact Mass 211.259 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MSWPGMRTURVKRJ-RVDMUPIBSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/MSWPGMRTURVKRJ-RVDMUPIBSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:17:46.850582
MetadataModified 2024-09-07T14:10:54.045137
MetadataPublished 2015-10-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
888727 eMolecules
50529593 BindingDB
CHEMBL4475486 ChEMBL
ZINC000018206950 ZINC
15972341 PubChem: Thomson Pharma
836-41-9 ACToR
SCHEMBL443412 SureChEMBL
J151.162I Nikkaji
10024373 NMRShiftDB
MCULE-3484323148 Mcule
YAHDER CCDC
J756.784G Nikkaji
The data in this table is sourced from UniChem at EBI.