Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
SMILES Cl[Sb](Cl)(Cl)(Cl)Cl.CC1=C([C+]1c1cc2CCc3ccc(CCc1cc2)cc3)C.[Cl-]
InChI Key VMJWTLFNGANXEL-UHFFFAOYSA-H
Exact Mass 607.869 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VMJWTLFNGANXEL-UHFFFAOYSA-H/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VMJWTLFNGANXEL-UHFFFAOYSA-H/CHMO0000595
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-11-05

Start time : 20:03:45 UTC

Creator : Tilman Köhler

Label : KT-1937

ID : 393632

Solvent : CD3CN

Temperature : 297.9978 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO

Name : TopSpin

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