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/C24H20N5.ClH/c1-28-17-16-23(24(18-28)26-27-25)19-12-14-22(15-13-19)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21;/h2-18H,1H3;1H/q+1;/p-1
SMILES [N-]=[N+]=Nc1c[n+](C)ccc1c1ccc(cc1)N(c1ccccc1)c1ccccc1.[Cl-]
InChI Key VNRJBELPCOZABG-UHFFFAOYSA-M
Exact Mass 413.902 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VNRJBELPCOZABG-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VNRJBELPCOZABG-UHFFFAOYSA-M/CHMO0000595
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:34:14.510323
MetadataModified 2024-09-23T09:20:18.337460
MetadataPublished 2023-09-16
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : zgpg30

number of scans : 2048 scans

title : Aug16-2023-braese

date : 20230816

starting time : 20.04 h

instrument : spect

label : XQ-209

id : 103108

Solvent : DMSO

Data-Source Molecule ID Data-Source
168499156 PubChem
The data in this table is sourced from UniChem at EBI.