Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H12SSi/c1-9(2,3)7-5-4-6-8-7/h4-6H,1-3H3
SMILES C[Si](c1cccs1)(C)C
InChI Key OANGLGSZPSFVDY-UHFFFAOYSA-N
Molecular Formula C7H12SSi
Exact Mass 156.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OANGLGSZPSFVDY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/OANGLGSZPSFVDY-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 : 2025-11-26

Start time : 09:20:25 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-25558

ID : 355809

Solvent : CDCl3

Temperature : 298.00150425751 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
2341397 surechembl
140360 pubchem
Molport-000-141-444 molport
The data in this table is sourced from UniChem at EBI.