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/C19H13NO/c21-13-14-9-11-15(12-10-14)20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H
SMILES O=Cc1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key RPHLDCKUUAGNAC-UHFFFAOYSA-N
Molecular Formula C19H13NO
Exact Mass 271.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RPHLDCKUUAGNAC-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/RPHLDCKUUAGNAC-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:22:14.747752
MetadataModified 2024-09-07T13:49:06.997653
MetadataPublished 2014-08-26
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID40431637 EPA CompTox Dashboard
ZINC000033979862 ZINC
9838334 PubChem
J1.227.705I Nikkaji
MUMKEM CCDC
SCHEMBL39208 SureChEMBL
36772455 eMolecules
14799304 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.