Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H11.3CH3.Sn/c1-8(2)9-6-4-3-5-7-9;;;;/h3-6,8H,1-2H3;3*1H3;
SMILES CC(c1ccccc1[Sn](C)(C)C)C
InChI Key MIOGQQGGOCZKBX-UHFFFAOYSA-N
Exact Mass 282.988 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIOGQQGGOCZKBX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MIOGQQGGOCZKBX-UHFFFAOYSA-N/CHMO0000595
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-11-24

Start time : 18:12:27 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-25554

ID : 355811

Solvent : CDCl3

Temperature : 298.000635928348 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
SCHEMBL5951966 SureChEMBL
22172888 PubChem
The data in this table is sourced from UniChem at EBI.