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/C20H17N3/c1-2-12-21-17(5-1)15-8-10-16(11-9-15)20(18-6-3-13-22-18)19-7-4-14-23-19/h1-14,20,22-23H
SMILES c1ccc(nc1)c1ccc(cc1)C(c1[nH]ccc1)c1[nH]ccc1
InChI Key ILSHJPHOTBMRGU-UHFFFAOYSA-N
Molecular Formula C20H17N3
Exact Mass 299.369 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ILSHJPHOTBMRGU-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ILSHJPHOTBMRGU-UHFFFAOYSA-N/CHMO0000595
Version
Author Michael Rotter
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:28:55.486877
MetadataModified 2025-02-04T13:28:55.486889
MetadataPublished 2025-01-21
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 298.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : Aug11-2024-braese

Date : 20240811

Start time : 1.25 h

Instrument : spect

Label : MRO-42

ID : 130620

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.