Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
SMILES CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
InChI Key FHHMWSLXUHVMKH-UHFFFAOYSA-N
Exact Mass 332.511 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FHHMWSLXUHVMKH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FHHMWSLXUHVMKH-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 : 19:17:17 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-24379

ID : 355592

Solvent : CDCl3

Temperature : 298.002222874748 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
13066038 PubChem
DUPFIE CCDC
SCHEMBL704060 SureChEMBL
The data in this table is sourced from UniChem at EBI.