Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3
SMILES O=Cc1cc(n(c1C)c1ccccc1)C
InChI Key LNROIXNEIZSESG-UHFFFAOYSA-N
Molecular Formula C13H13NO
Exact Mass 199.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNROIXNEIZSESG-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/LNROIXNEIZSESG-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Franziska Glaeser
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:08:03.959909
MetadataModified 2024-09-07T13:38:04.776033
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
PD097554 ProbesDrugs
CHEMBL2113933 ChEMBL
83-18-1 ACToR
829574 eMolecules
66515 PubChem
J192.606C Nikkaji
SCHEMBL645648 SureChEMBL
MCULE-2256135899 Mcule
ZINC000000040934 ZINC
DTXSID2058887 EPA CompTox Dashboard
PW8ELR8SUD FDA SRS
CB8294241 ChemicalBook
The data in this table is sourced from UniChem at EBI.