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/C11H15N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-10+
SMILES CC(/N=C(/c1ccccc1)\C)C
InChI Key AOXHWCPOATWTDN-ZRDIBKRKSA-N
Molecular Formula C11H15N
Exact Mass 161.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOXHWCPOATWTDN-ZRDIBKRKSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/AOXHWCPOATWTDN-ZRDIBKRKSA-N/NMR/13C/CDCl3/100.1
Version
Author Tanja Rieder
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:25:42.018310
MetadataModified 2024-09-07T13:54:10.735545
MetadataPublished 2014-09-25
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15363897 PubChem: Thomson Pharma
J661.725E Nikkaji
ZINC000043463490 ZINC
SCHEMBL3444392 SureChEMBL
The data in this table is sourced from UniChem at EBI.