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/C15H15N3/c1-11-6-7-14(18-10-11)15(12-4-2-8-16-12)13-5-3-9-17-13/h2-10,15-17H,1H3
SMILES Cc1ccc(nc1)C(c1ccc[nH]1)c1ccc[nH]1
InChI Key NJRVDFUNQHSZOA-UHFFFAOYSA-N
Molecular Formula C15H15N3
Exact Mass 237.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NJRVDFUNQHSZOA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NJRVDFUNQHSZOA-UHFFFAOYSA-N/CHMO0000595
Version
Author Michael Rotter
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:28:27.814738
MetadataModified 2025-02-04T13:28:27.814744
MetadataPublished 2025-01-17
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 : 3.10 h

Instrument : spect

Label : MRO-44

ID : 130625

Solvent : chloroform-D1 (CDCl3)

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